Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I90_2019M8 (2019 - Homo sapiens - Human family of nuclear receptors)
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DB.fasta
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
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Correct
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Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
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Query Sequence
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Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
EST - [nb=50] --> ESTRADIOL
DHT - [nb=35] --> .....ALPHA-DIHYDROTESTOSTERONE
B7G - [nb=30] --> .....YL-BETA-D-GLUCOPYRANOSIDE
REA - [nb=25] --> RETINOIC ACID
444 - [nb=16] --> .....PHENYL}BENZENESULFONAMIDE
OHT - [nb=16] --> 4-HYDROXYTAMOXIFEN
4HY - [nb=11] --> .....IIODO-PHENYL]-ACETIC ACID
TES - [nb=10] --> TESTOSTERONE
DEX - [nb=10] --> DEXAMETHASONE
T3 - [nb=10] --> 3,5,3'TRIIODOTHYRONINE
STR - [nb=9] --> PROGESTERONE
9CR - [nb=9] --> (9cis)-retinoic acid
486 - [nb=9] --> .....PENTA[A]PHENANTHREN-3-ONE
DES - [nb=8] --> DIETHYLSTILBESTROL
198 - [nb=8] --> R-BICALUTAMIDE
HFT - [nb=8] --> HYDROXYFLUTAMIDE
SRL - [nb=7] --> .....HONIC ACID DIETHLYL ESTER
RAL - [nb=7] --> RALOXIFENE
EPH - [nb=7] --> .....-PHOSPHATIDYLETHANOLAMINE
R18 - [nb=6] --> .....LESTRA-4,9,11-TRIEN-3-ONE
CPS - [nb=6] --> .....MONIO]-1-PROPANESULFONATE
1CA - [nb=6] --> DESOXYCORTICOSTERONE
GEN - [nb=6] --> GENISTEIN
KN1 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
KN3 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
OLA - [nb=6] --> OLEIC ACID
IMN - [nb=6] --> INDOMETHACIN
I0G - [nb=6] --> .....CYCLOPENTA[C]CHROMEN-8-OL
EDK - [nb=6] --> .....enyl]amino]propanoic acid
C3S - [nb=5] --> .....-EN-3-YL HYDROGEN SULFATE
GW5 - [nb=5] --> .....-ENYL]PHENYL}ACRYLIC ACID
LRG - [nb=5] --> .....Y)-3-PHENYLPROPANOIC ACID
BM6 - [nb=5] --> .....OXOLAN-2-YL]-BENZOIC ACID
TXF - [nb=5] --> .....-PHENYLPENT-1-ENYL)PHENOL
PTG - [nb=5] --> .....,12,14-TETRAEN-1-OIC ACID
GW9 - [nb=5] --> .....5-NITRO-N-PHENYLBENZAMIDE
7EB - [nb=4] --> ......1]hept-5-ene-2-sulfonate
9NP - [nb=4] --> .....nzimidazol-1-yl}acetamide
471 - [nb=4] --> .....PHENYL}PROPYL)PROPANAMIDE
7EE - [nb=4] --> .....,4-trien-20-yne-3,17-diol
AEJ - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
LG2 - [nb=4] --> .....YRIDINE-3-CARBOXYLIC ACID
OCR - [nb=4] --> .....5,8,11,13-TETRAENOIC ACID
98N - [nb=4] --> .....-b]pyridine-3-carboxamide
KN0 - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
F15 - [nb=4] --> PENTADECANOIC ACID
AJA - [nb=4] --> .....HROMENE-9-CARBOXYLIC ACID
6Q6 - [nb=4] --> .....ethoxyphenyl)propan-1-one
82O - [nb=4] --> .....pyrrolidine-3-carboxamide
AYO - [nb=4] --> .....amino]-6-oxohexanoic acid
4Q3 - [nb=4] --> .....-fluoro-N-methylbenzamide
29S - [nb=4] --> Bazedoxifene
244 - [nb=4] --> .....ZOFURAN-7-YL]ACETONITRILE
EEZ - [nb=4] --> .....sulfonylphenyl)ethanamide
82R - [nb=4] --> .....ne-6,2'-oxane]-10,16-diol
668 - [nb=4] --> .....yl}-N,N-dimethylbenzamide
9HF - [nb=4] --> .....riazole-5-carboxylic acid
OBH - [nb=4] --> ......1]hept-5-ene-2-sulfonate
XGH - [nb=4] --> .....-2-methylpropyl)acetamide
9P6 - [nb=4] --> .....xan-4-ylmethyl)ethanamide
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
7EC - [nb=4] --> ......1]hept-5-ene-2-sulfonate
98H - [nb=4] --> .....henanthrene-3,7(4H)-dione
DC8 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
JJ3 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
OR8 - [nb=4] --> .....1H-PYRAZOLE-4-SULFONAMIDE
072 - [nb=4] --> .....PTYL-4-OXO-5-THIAZOLIDINE
4M5 - [nb=4] --> .....,10,13,19-pentaenoic acid
6OX - [nb=4] --> .....imidazol-4-yl]propan-2-ol
ACD - [nb=4] --> ARACHIDONIC ACID
ETC - [nb=4] --> .....TRAHYDROCHRYSENE-2,8-DIOL
DAO - [nb=4] --> LAURIC ACID
AS0 - [nb=4] --> .....-11-YL]BENZALDEHYDE OXIME
G8Y - [nb=4] --> .....][1]benzoxepine-5,11-diol
6Q5 - [nb=4] --> Ursolic acid
4P3 - [nb=4] --> .....xy)biphenyl-3-carboxamide
44B - [nb=3] --> .....)AMINO]PHENYL}PROPAN-2-OL
40U - [nb=3] --> .....L}-2-CYCLOPROPYLACETAMIDE
NDR - [nb=3] --> .....17-HYDROXYESTR-4-EN-3-ONE
AZ2 - [nb=3] --> .....OXY)PHENYL]PROPANOIC ACID
BOG - [nb=3] --> SUGAR (B-OCTYLGLUCOSIDE)
76E - [nb=3] --> .....NZOXAZEPIN-7-YL]BENZAMIDE
MYR - [nb=3] --> MYRISTIC ACID
6F1 - [nb=3] --> .....hyl)benzene-1-sulfonamide
Y1N - [nb=3] --> .....YL]PHENOXY]PROPANOIC ACID
S44 - [nb=3] --> .....THYL}BENZYL)BUTANOIC ACID
TTB - [nb=3] --> .....)PROP-1-ENYL]BENZOIC ACID
JZN - [nb=3] --> .....L]CARBONYL}-D-PROLINAMIDE
JZR - [nb=3] --> .....yl beta-D-glucopyranoside
65W - [nb=3] --> .....yl)phenoxy]propanoic acid
TBY - [nb=3] --> TRIBUTYLSTANNANYL
4D8 - [nb=3] --> .....4-DIENE-4-CARBOXYLIC ACID
P6L - [nb=3] --> .....PYL (8E)-OCTADEC-8-ENOATE
965 - [nb=3] --> .....ROPOXY)PHENYL]ACETIC ACID
ET1 - [nb=3] --> .....INDOL-3-YL}PROPANOIC ACID
SNL - [nb=3] --> SPIRONOLACTONE
MLO - [nb=3] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
3JX - [nb=3] --> .....IPHENYL-2-CARBOXYLIC ACID
MOF - [nb=3] --> MOMETASONE FUROATE
7EH - [nb=3] --> .....azo[4,5-b]pyridin-2-amine
33Y - [nb=3] --> .....,5-b]indole-5-carboxylate
9R0 - [nb=3] --> .....hiazole-6-carboxylic acid
STL - [nb=3] --> RESVERATROL
B72 - [nb=3] --> .....METHYLPHENOXY}ACETIC ACID
PLB - [nb=3] --> .....IDIN-2-YLOXY)BENZOIC ACID
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
60R - [nb=3] --> .....~{H}-1,4-benzoxazin-3-one
FHM - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
XDH - [nb=3] --> .....YLBIS(2,6-DICHLOROPHENOL)
T9T - [nb=3] --> TRIPHENYLSTANNANYL
9R3 - [nb=3] --> .....hiazole-6-carboxylic acid
8LX - [nb=3] --> .....,3-thiazolidine-2,4-dione
8YB - [nb=3] --> .....sulfonylphenyl)ethanamide
PEF - [nb=3] --> .....-PHOSPHATIDYLETHANOLAMINE
LO2 - [nb=2] --> .....3,3-HEXAFLUOROPROPAN-2-OL
9KV - [nb=2] --> .....nzimidazol-1-yl]acetamide
5OX - [nb=2] --> .....,14,17,20-PENTAENOIC ACID
CO1 - [nb=2] --> .....OPENTA[A]PHENANTHREN-3-OL
HZ3 - [nb=2] --> .....5-DIENE-2,3-DICARBOXYLATE
ORB - [nb=2] --> .....YLISOXAZOLE-4-SULFONAMIDE
LLC - [nb=2] --> .....YLETHOXY)PHENYL]METHANONE
HJ4 - [nb=2] --> .....-one (non-preferred name)
5C7 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
9N1 - [nb=2] --> .....nzimidazol-1-yl]acetamide
7EQ - [nb=2] --> .....1lambda~4~-thiophen-1-one
NZA - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
DRH - [nb=2] --> .....XY)-2-METHYLBUTANOIC ACID
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
5HZ - [nb=2] --> .....idenemethanediyl]diphenol
1GJ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
RO7 - [nb=2] --> .....OPHEN-7-YL}PROPANOIC ACID
9NA - [nb=2] --> .....droxycyclohexyl)acetamide
5DG - [nb=2] --> .....p-1-ene-1,1-diyl)diphenol
1NY - [nb=2] --> .....RBONYL]AMINO}BENZOIC ACID
4F1 - [nb=2] --> .....indazol-3-yl}benzoic acid
27E - [nb=2] --> CHLORDECONE
EF5 - [nb=2] --> .....3-thiazol-2-yl]ethanamide
GW6 - [nb=2] --> .....17-YL FURAN-2-CARBOXYLATE
4Q9 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
7KL - [nb=2] --> .....]phenyl}prop-2-enoic acid
EI1 - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
047 - [nb=2] --> .....L-3-YL]METHYL}METHANAMINE
6WR - [nb=2] --> .....exahydro-1~{H}-inden-1-ol
29M - [nb=2] --> .....L-7-YL]METHANESULFONAMIDE
NBH - [nb=2] --> .....SULFONYL)PHENYL]ACETAMIDE
T73 - [nb=2] --> .....an-2-yl 4-hydroxybenzoate
D7E - [nb=2] --> .....]ETHYL]BENZENESULFONAMIDE
697 - [nb=2] --> .....BENZOFURAN-7-CARBONITRILE
0KS - [nb=2] --> .....-METHYLBENZENESULFONAMIDE
GOL - [nb=2] --> GLYCEROL
5C4 - [nb=2] --> .....p-1-ene-1,1-diyl}diphenol
21P - [nb=2] --> .....IOXOLAN-2-YL]BENZOIC ACID
9MP - [nb=2] --> .....nzimidazol-1-yl}acetamide
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
5K8 - [nb=2] --> .....]cyclohexyl}propanedioate
5KF - [nb=2] --> .....dene]methanediyl}diphenol
7FZ - [nb=2] --> .....2,3-dihydro-1H-inden-1-ol
OB3 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
6WP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
064 - [nb=2] --> .....enyl)ethenyl]benzoic acid
9MD - [nb=2] --> .....[(2S)-oxan-2-yl]acetamide
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
L8A - [nb=2] --> .....iperazin-1-yl)ethan-1-one
369 - [nb=2] --> .....)-7-METHYLNAPHTHALEN-2-OL
5JX - [nb=2] --> .....dene]methanediyl}diphenol
7FR - [nb=2] --> .....stra-1,3,5(10)-trien-3-ol
7KK - [nb=2] --> .....uorobenzene-1-sulfonamide
5J1 - [nb=2] --> .....-9-ylmethanediyl]diphenol
HC3 - [nb=2] --> 25-HYDROXYCHOLESTEROL
QSO - [nb=2] --> .....yphenyl)-4H-chromen-4-one
E3S - [nb=2] --> .....soquinoline-1-carboxamide
4WH - [nb=2] --> .....-methyl-1H-1,2,3-triazole
NKS - [nb=2] --> .....LPHENOXY)CARBONYL]GLYCINE
ESE - [nb=2] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
7E1 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
OFB - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5KA - [nb=2] --> .....dene}methanediyl)diphenol
36J - [nb=2] --> .....zoxacyclotetradecin-1-one
27J - [nb=2] --> ALPHA-ZEARALANOL
HIG - [nb=2] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
5KG - [nb=2] --> .....dene]methanediyl}diphenol
5K1 - [nb=2] --> .....dene]methanediyl}diphenol
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
7ES - [nb=2] --> .....-diyl)bis(3-fluorophenol)
1GV - [nb=2] --> .....5-DIYLBIS(3-METHYLPHENOL)
ODE - [nb=2] --> .....T-5-ENE-2,3-DICARBOXYLATE
5OR - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
7FO - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5FY - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
5J2 - [nb=2] --> .....l)methyl]benzene-1,3-diol
IH5 - [nb=2] --> .....HENOXY]PHENYL}ACETIC ACID
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
6WN - [nb=2] --> .....enta[a]phenanthren-17-one
OB1 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
Z27 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
7M1 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
9LP - [nb=2] --> .....clohexyl hydrogen sulfate
6WL - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
EE8 - [nb=2] --> .....-ethoxy-phenyl)ethanamide
0CZ - [nb=2] --> .....PROPANE-2,2-DIYL)DIPHENOL
90C - [nb=2] --> .....phenyl]pent-1-enyl]phenol
6WW - [nb=2] --> .....openta[a]phenanthren-3-ol
9XY - [nb=2] --> Endoxifen
W14 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-7-OL
5KD - [nb=2] --> .....dene]methanediyl}diphenol
85M - [nb=2] --> .....ydro-2H-1-benzopyran-7-ol
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
ZTW - [nb=2] --> RALOXIFENE CORE
866 - [nb=2] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
9MM - [nb=2] --> .....oxy}-3-fluorobenzoic acid
A48 - [nb=2] --> .....IFLUOROETHYL)AMINO]PHENOL
538 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
XPT - [nb=2] --> .....AMBDA~4~-SULFANYL]PROPANE
9N7 - [nb=2] --> .....acetyl]amino}benzoic acid
I5W - [nb=2] --> .....-phenyl]prop-2-enoic acid
5HX - [nb=2] --> .....dene(phenyl)methyl]phenol
9NJ - [nb=2] --> .....ohexane-1-carboxylic acid
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
7M7 - [nb=2] --> .....nyl 4,4''-dihydroxy-[1,1'
7HA - [nb=2] --> .....-(METHOXYCARBONYL)GLYCINE
LX2 - [nb=2] --> .....1H-INDOL-1-YL]ACETIC ACID
FEZ - [nb=2] --> .....en-1-yl 4-hydroxybenzoate
86Y - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
YFE - [nb=2] --> AMORFRUTIN 1
C6V - [nb=2] --> .....)phenyl]prop-2-enoic acid
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
0KT - [nb=2] --> .....PHENYL)BENZENESULFONAMIDE
MYI - [nb=2] --> .....1H-INDOL-3-YL)ACETIC ACID
F7M - [nb=2] --> .....yl}pyridine-2-carboxamide
9HO - [nb=2] --> .....TADECA-10,12-DIENOIC ACID
7FS - [nb=2] --> .....stra-1(10),2,4-trien-3-ol
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
7FL - [nb=2] --> .....ylidenemethylene)diphenol
961 - [nb=2] --> .....ACETYLAMINO]-BENZOIC ACID
5K5 - [nb=2] --> .....idenemethanediyl]diphenol
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
KN2 - [nb=2] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
G9J - [nb=2] --> .....thyl-2H-1-benzopyran-6-ol
6QW - [nb=2] --> .....phenyl-methanesulfonamide
7EO - [nb=2] --> .....1lambda~4~-thiophen-1-one
67S - [nb=2] --> .....l)pyrimidin-5-yl}methanol
0L8 - [nb=2] --> .....DROXYMETHYL)BIPHENYL-4-OL
7E3 - [nb=2] --> .....yl]phenoxy}pentanoic acid
YFB - [nb=2] --> AMORFRUTIN B
7EN - [nb=2] --> .....1lambda~4~-thiophen-1-one
UNT - [nb=2] --> .....IAZOL-2-YL)PROPANOIC ACID
5J0 - [nb=2] --> .....droxyphenyl)methyl]phenol
C03 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
7M4 - [nb=2] --> .....l]phenyl}hex-5-enoic acid
3SN - [nb=2] --> .....lobutylbenzenesulfonamide
RJW - [nb=2] --> .....6a-hexahydropentalen-1-ol
JYH - [nb=2] --> .....RBONYL]AMINO}BENZOIC ACID
6WM - [nb=2] --> .....[a]phenanthrene-3,17-diol
6Y8 - [nb=2] --> .....dropyrrolo[3,4-c]pyrazole
6WV - [nb=2] --> .....openta[a]phenanthren-3-ol
7G3 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
OBM - [nb=2] --> ......1]hept-5-ene-2-sulfonate
ZER - [nb=2] --> .....tetradecine-1,7(8H)-dione
643 - [nb=2] --> .....-INDOLE-3-CARBOXYLIC ACID
9LJ - [nb=2] --> .....yl)-2-cyclohexylacetamide
F22 - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
5C9 - [nb=2] --> .....t-1-ene-1,1-diyl)diphenol
5DH - [nb=2] --> .....2-phenylprop-2-enenitrile
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
7FG - [nb=2] --> .....thyl}phenyl)prop-2-enoate
GKK - [nb=2] --> .....BENZYL]AMINO}BENZONITRILE
9LS - [nb=2] --> .....(2-fluorophenyl)acetamide
17M - [nb=2] --> .....17-ALPHA-DIHYDROEQUILENIN
NIW - [nb=2] --> .....yridine-3,5-dicarboxylate
5BC - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
9A0 - [nb=2] --> .....ethyl-N-phenylpropanamide
6WS - [nb=2] --> .....enyl]-4-chloranyl-benzene
27H - [nb=2] --> FERUTININE
7ER - [nb=2] --> .....da~6~-thiophene-1,1-dione
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
PIZ - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
EZT - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
NRO - [nb=2] --> .....L)FURAN-2-YL]BENZOIC ACID
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
8A7 - [nb=2] --> .....,3-thiazolidine-2,4-dione
6EW - [nb=2] --> .....hyl)benzene-1-sulfonamide
OCX - [nb=2] --> .....5,9,11,14-TETRAENOIC ACID
241 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
EQO - [nb=2] --> .....2-YL]ETHENYL}BENZOIC ACID
NOG - [nb=2] --> .....ETA-HYDROXYGON-4-EN-3-ONE
5FV - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
W23 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
9MS - [nb=2] --> .....N,2-dicyclohexylacetamide
9N4 - [nb=2] --> .....-dimethylphenyl)acetamide
CFJ - [nb=2] --> .....l)-3-methylpentanediamide
4HD - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
OBT - [nb=2] --> .....]hept-5-ene-2-sulfonamide
85Z - [nb=2] --> .....]PHENYL]PROP-2-ENOIC ACID
IOK - [nb=2] --> .....L-1H-INDOL-3-YL)ACETAMIDE
7G0 - [nb=2] --> .....yloctahydro-1H-inden-1-ol
MMB - [nb=2] --> .....ROPOXYIMINO)BUTANOIC ACID
5FT - [nb=2] --> .....5-ene-2-sulfonate 7-oxide
77W - [nb=2] --> .....]phenyl}prop-2-enoic acid
CTM - [nb=2] --> .....L)-2-ETHOXYPROPANOIC ACID
3K2 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
7VX - [nb=2] --> .....picene-4a-carboxylic acid
39K - [nb=2] --> .....-PHENYLMETHANESULFONAMIDE
7EM - [nb=2] --> .....ene-2,3,5-triyl)triphenol
6WQ - [nb=2] --> .....droxyphenyl)methyl]phenol
397 - [nb=2] --> .....XY-PHENYL)BENZOFURAN-5-OL
36M - [nb=2] --> propyl 4-hydroxybenzoate
86V - [nb=2] --> .....nyl)-2H-1-benzopyran-7-ol
5K0 - [nb=2] --> .....dene)methanediyl]diphenol
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
YJD - [nb=2] --> .....YBENZIMIDAZOL-1-YL)PHENOL
5JY - [nb=2] --> .....dene)methanediyl]diphenol
9KY - [nb=2] --> .....nzimidazol-1-yl}acetamide
7FJ - [nb=2] --> .....lidene)methylene]diphenol
DIF - [nb=2] --> .....)AMINO]BENZENEACETIC ACID
FNJ - [nb=2] --> .....lbutane-1,2-diyl]diphenol
7K6 - [nb=2] --> .....yl]phenoxy}heptanoic acid
K08 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
JJA - [nb=2] --> .....YL]AMINO}METHYL)BENZAMIDE
SF2 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
5DJ - [nb=2] --> .....lethene-1,1-diyl)diphenol
7J9 - [nb=2] --> .....-yl]phenoxy}hexanoic acid
7EL - [nb=2] --> .....[1,1'-biphenyl]-3,4'-diol
OBB - [nb=2] --> ......1]hept-5-ene-2-sulfonate
5G6 - [nb=2] --> .....nylcarbonimidoyl)diphenol
240 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
4Q7 - [nb=2] --> ......1]hept-5-ene-2-sulfonate
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
EEY - [nb=2] --> .....N-(pyridin-4-yl)benzamide
7FQ - [nb=2] --> .....,3,5(10)-triene-3,17-diol
5ET - [nb=2] --> .....5-diylbis(3-chlorophenol)
7G2 - [nb=2] --> .....[1,1'-biphenyl]-4,4'-diol
J3Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
5RT - [nb=2] --> .....thyl]indole-4-sulfonamide
9L7 - [nb=2] --> .....N,2-dicyclohexylacetamide
5OS - [nb=2] --> .....-phenyl)furan-3-yl]phenol
SF1 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
5CQ - [nb=2] --> .....yloctahydro-1H-inden-1-ol
YFD - [nb=2] --> AMORFRUTIN 2
7FD - [nb=2] --> .....thyl]phenyl}prop-2-enoate
5HW - [nb=2] --> .....dene]methanediyl}diphenol
9WD - [nb=2] --> .....iperidin-1-yl}ethan-1-one
XD5 - [nb=2] --> .....eptanyl] 4-azanylbenzoate
OB8 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
XBR - [nb=2] --> .....L-2(9H)-YL)PROPANOIC ACID
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
5HE - [nb=2] --> .....,11,14,17-PENTAENOIC ACID
8A4 - [nb=2] --> .....1H-imidazol-5-yl)methanol
7EG - [nb=2] --> .....xyimino)methyl][1~1~,2~1~
7ED - [nb=2] --> .....-hydroxyphenyl)pentanoate
F3D - [nb=2] --> .....o]-N,N-dimethylbutanamide
ESL - [nb=2] --> ESTRIOL
041 - [nb=2] --> .....VINYL-1,3-BENZOXAZOL-5-OL
66B - [nb=2] --> .....,15,18,21-PENTAENOIC ACID
1GQ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
OB9 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
9M1 - [nb=2] --> .....,5-b]indole-5-carboxylate
5G3 - [nb=2] --> .....l)methyl]benzene-1,3-diol
PFA - [nb=2] --> .....ETHYL-PHENYL]-6-AZAURACIL
6Y4 - [nb=2] --> .....l)pyrimidin-5-yl]methanol
RHN - [nb=2] --> .....HRACENE-2-CARBOXYLIC ACID
9L4 - [nb=2] --> .....acetyl}amino)benzoic acid
G91 - [nb=2] --> .....][1]benzoxepine-5,11-diol
15Q - [nb=2] --> .....METHYL]BIPHENYL-4,4'-DIOL
SFI - [nb=2] --> .....]inden-1-yl]ethanoic acid
9ND - [nb=2] --> .....lohexyl-N-phenylacetamide
5C8 - [nb=2] --> .....p-1-ene-1,1-diyl]diphenol
KNA - [nb=2] --> NONANOIC ACID
O90 - [nb=2] --> .....LFANYL]PHENYL}ACETIC ACID
LLB - [nb=2] --> .....L)ETHOXY]PHENYL}METHANONE
3QQ - [nb=2] --> .....no}pyridine-3-sulfonamide
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
1GS - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
7EV - [nb=2] --> .....yl]phenoxy}pentanoic acid
SP3 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
OB2 - [nb=2] --> .....]hept-5-ene-2-sulfonamide
4OH - [nb=2] --> .....-TRIENE-3,15,16,17-TETROL
EED - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
1GT - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
1GR - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
5KE - [nb=2] --> .....dene]methanediyl}diphenol
WOW - [nb=2] --> .....N-3-YL]AMINO}BENZONITRILE
Q97 - [nb=2] --> .....t-1-ene-1,2-diyl]diphenol
1GM - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
196 - [nb=2] --> .....-HYDROXY-1-NAPHTHONITRILE
7G1 - [nb=2] --> .....spirobi[indene]-1',5-diol
5P1 - [nb=2] --> .....midazo[1,2-a]pyridin-6-ol
5CJ - [nb=2] --> .....l)octahydro-1H-inden-1-ol
J2Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
CFG - [nb=2] --> .....1,2-oxazole-5-carboxamide
6QP - [nb=2] --> .....benzoxazin-6-yl]benzamide
4KM - [nb=2] --> .....(trifluoromethyl)benzoate
5ES - [nb=2] --> .....}ethene-1,1-diyl)diphenol
WV7 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
7EF - [nb=2] --> .....zol-3-yl]benzene-1,3-diol
LUF - [nb=2] --> .....-5-HYDROXYFURAN-2(5H)-ONE
30X - [nb=2] --> .....LUOROETHYL)-L-ALANINAMIDE
5KB - [nb=2] --> .....dene]methanediyl}diphenol
5K2 - [nb=2] --> .....idenemethanediyl)diphenol
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
61X - [nb=2] --> .....TRIFLUOROMETHYL)QUINOLINE
CF7 - [nb=2] --> .....pholine-2,4-dicarboxamide
4LQ - [nb=2] --> .....phthalen-1-yl-propanamide
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
7FP - [nb=2] --> ......1]hept-5-ene-2-sulfonate
JZS - [nb=2] --> .....1H-INDAZOL-1-YL)BENZAMIDE
PIQ - [nb=2] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
5K4 - [nb=2] --> .....dene]methanediyl}diphenol
DGX - [nb=2] --> DIGOXIN
9LY - [nb=2] --> .....nzimidazol-1-yl}acetamide
243 - [nb=2] --> .....CTADECA-9,11-DIENOIC ACID
5CK - [nb=2] --> .....yloctahydro-1H-inden-1-ol
5CE - [nb=2] --> .....yloctahydro-1H-inden-1-ol
88J - [nb=2] --> .....yl)(pyridin-4-yl)methanol
JYI - [nb=2] --> .....2-YL)ETHENYL]BENZOIC ACID
5G7 - [nb=2] --> .....yl)carbonimidoyl]diphenol
5G2 - [nb=2] --> .....da~6~-thiophene-1,1-dione
EES - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
5EU - [nb=2] --> .....-diyl)bis(3-chlorophenol)
BXG - [nb=2] --> .....in-4-yl)-5-nitrobenzamide
5G4 - [nb=2] --> .....o]methyl}benzene-1,3-diol
1HP - [nb=2] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
SRO - [nb=2] --> SEROTONIN
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
7JY - [nb=2] --> .....yl]phenoxy}heptanoic acid
AXY - [nb=2] --> .....yl-4-yloxy)propanoic acid
470 - [nb=2] --> .....YDROPENTALEN-3A(1H)-AMINE
OBC - [nb=2] --> ......1]hept-5-ene-2-sulfonate
6WU - [nb=2] --> .....},4,7-hexahydroinden-1-ol
5CC - [nb=2] --> .....t-1-ene-1,1-diyl}diphenol
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
FSV - [nb=2] --> .....)ETHENYL]BENZENE-1,3-DIOL
LNA - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
CHD - [nb=2] --> CHOLIC ACID
1GU - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
3SX - [nb=2] --> .....-phenylmethanesulfonamide
WY1 - [nb=2] --> .....2-YL}SULFANYL)ACETIC ACID
5K7 - [nb=2] --> .....lidene]cyclohexyl}acetate
T98 - [nb=2] --> .....1H-PYRROLE-2-CARBONITRILE
WST - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-9-OL
99N - [nb=2] --> .....en-3-yl] hydrogen sulfate
9LA - [nb=2] --> .....ohexylethoxy}benzoic acid
93U - [nb=2] --> .....yridine-3,5-dicarboxylate
5C6 - [nb=2] --> .....t-1-ene-1,1-diyl}diphenol
9MY - [nb=2] --> .....droxycyclohexyl)acetamide
3EA - [nb=2] --> .....]INDOL-1-YL}ETHANOIC ACID
C08 - [nb=2] --> .....L-KAPPAN}PENTANOATO)BORON
CUE - [nb=2] --> Coumestrol
HV4 - [nb=2] --> .....ene-1,3-thiazolidin-4-one
5FS - [nb=2] --> .....da~6~-thiophene-1,1-dione
9RA - [nb=2] --> .....2-YL)ETHENYL]BENZOIC ACID
782 - [nb=2] --> .....}phenyl)prop-2-enoic acid
Q6Y - [nb=2] --> .....-pyrimidine-5-carboxamide
D9N - [nb=2] --> .....n-2-yl]oxymethyl]benzoate
5G5 - [nb=2] --> .....yl)carbonimidoyl]diphenol
GFV - [nb=2] --> .....droxy Pioglitazone (M-IV)
9LD - [nb=2] --> .....3-carbonyl}amino)benzoate
6WT - [nb=2] --> .....hlorophenyl)ethyl]benzene
458 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
3AS - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
O40 - [nb=2] --> .....BAMOYL]AMINO}BENZOIC ACID
E3V - [nb=2] --> .....yl]cyclobutyl}acetic acid
K09 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
B67 - [nb=1] --> .....FLUOROPHENOXY)PROPANAMIDE
6OB - [nb=1] --> .....CTADECA-8,12-DIENOIC ACID
D30 - [nb=1] --> .....ALEN-1-YL)OXY]ACETIC ACID
BHM - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
6BH - [nb=1] --> .....)phenyl]-3-nitrobenzamide
MGZ - [nb=1] --> .....HYL)PHENOXY]ETHANOIC ACID
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
921 - [nb=1] --> .....idin-4-yl)cyclohexyl]urea
C01 - [nb=1] --> .....ISOXAZOL-6-YL)OXY]ACETATE
98E - [nb=1] --> .....lpyrimidine-5-carboxamide
6Q7 - [nb=1] --> .....pyrazol-3-yl}benzoic acid
B9T - [nb=1] --> .....bis(fluoranyl)propanamide
ET0 - [nb=1] --> .....INDOL-3-YL)PROPANOIC ACID
CM4 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
E9T - [nb=1] --> .....thalene-2-carboxylic acid
6OC - [nb=1] --> .....CTADECA-9,12-DIENOIC ACID
EK8 - [nb=1] --> .....POXYPHENYL]PROPANOIC ACID
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
1O8 - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
9LG - [nb=1] --> .....-c]pyridine-2-carboxamide
79U - [nb=1] --> .....indazol-1-yl]benzoic acid
ZZH - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
4R8 - [nb=1] --> .....,13,16,19-PENTAENOIC ACID
CID - [nb=1] --> .....(3,4-DICHLOROBENZYL)OXIME
5LO - [nb=1] --> .....-trien-11-yl]benzoic acid
J57 - [nb=1] --> .....)phenyl]prop-2-enoic acid
9O1 - [nb=1] --> .....1,2-oxazole-4-carboxamide
ORC - [nb=1] --> .....YLISOXAZOLE-4-SULFONAMIDE
HEM - [nb=1] --> .....ORPHYRIN IX CONTAINING FE
652 - [nb=1] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
JJB - [nb=1] --> .....yl]amino}methyl)benzamide
E4D - [nb=1] --> .....ENZO[B][1,4]OXATHIIN-6-OL
PTI - [nb=1] --> .....TRAHYDRO-ISOQUINOLIN-6-OL
6Q0 - [nb=1] --> .....methyl]benzenesulfonamide
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
93R - [nb=1] --> .....yridine-3,5-dicarboxylate
MSZ - [nb=1] --> .....HYL)PHENOXY]ETHANOIC ACID
RTF - [nb=1] --> .....2-yl]methoxy]benzoic acid
7O0 - [nb=1] --> .....]phenyl]prop-2-enoic acid
4XW - [nb=1] --> .....14-decahydroretinoic acid
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
DKA - [nb=1] --> DECANOIC ACID
EYN - [nb=1] --> .....l]-~{N}-methyl-ethanamide
77T - [nb=1] --> .....-yl]-3-methylbenzonitrile
KB0 - [nb=1] --> .....yl-3-phenyl-1H-inden-5-ol
XDI - [nb=1] --> .....IYLBIS(2,6-DIBROMOPHENOL)
13M - [nb=1] --> .....THYL}BENZYL)BUTANOIC ACID
51Y - [nb=1] --> .....ino}-3-methylbenzonitrile
056 - [nb=1] --> .....LFANYLMETHYL]BENZOIC ACID
QZQ - [nb=1] --> Betulinic Acid
LX8 - [nb=1] --> .....-2-YL]PROPAN-2-YL ACETATE
STE - [nb=1] --> STEARIC ACID
P42 - [nb=1] --> .....YLAMMONIO)ETHYL PHOSPHATE
WLM - [nb=1] --> .....YL]PHENYL]ETHYL]BENZAMIDE
A2K - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
2W0 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
9MV - [nb=1] --> .....H)-yl}methyl)benzoic acid
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
FBR - [nb=1] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
P26 - [nb=1] --> .....IOXOLAN-2-YL]BENZOIC ACID
AS4 - [nb=1] --> ALDOSTERONE
EK1 - [nb=1] --> .....HYL)PHENYL]PROPANOIC ACID
8NH - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
HC2 - [nb=1] --> 20-HYDROXYCHOLESTEROL
4Y7 - [nb=1] --> .....oro-2-hydroxybenzoic acid
H8W - [nb=1] --> .....-yl]phenyl]propanoic acid
A7W - [nb=1] --> 8-AMINO-3-QUINOLINOL
EY8 - [nb=1] --> .....n-3-yl]methanesulfonamide
OB4 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
PLC - [nb=1] --> .....ECYL PHOSPHATIDYL CHOLINE
8W5 - [nb=1] --> .....}]icosa-14,17-dien-16-one
HXA - [nb=1] --> .....0,13,16,19-HEXAENOIC ACID
G58 - [nb=1] --> .....H-IMIDAZOLE-4-SULFONAMIDE
L4G - [nb=1] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
4CX - [nb=1] --> .....sulfonyl)phenyl]acetamide
9LM - [nb=1] --> .....-c]pyridine-1-carboxamide
8W8 - [nb=1] --> .....yl)propan-2-yl]ethanamide
EEU - [nb=1] --> .....RIDINIUM TETRAACETIC ACID
LGB - [nb=1] --> .....INO}-3-METHYLBENZONITRILE
LSJ - [nb=1] --> .....PHENYL}METHANESULFONAMIDE
3SW - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
DRF - [nb=1] --> .....OXY]PHENYL}PROPANOIC ACID
RRG - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
4CU - [nb=1] --> .....)phenyl]prop-2-enoic acid
93O - [nb=1] --> .....yridine-3,5-dicarboxylate
GW4 - [nb=1] --> .....Y]PHENYL}PROPYL]ACETAMIDE
NSI - [nb=1] --> .....]-1H-INDOLE-2-CARBOXAMIDE
MEI - [nb=1] --> .....YLDODECA-2,4-DIENOIC ACID
9NG - [nb=1] --> .....ylthiophene-2-sulfonamide
OB7 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
FT7 - [nb=1] --> .....]-1H-indole-5-carboxamide
7BE - [nb=1] --> .....omene]-6'-carboxylic acid
2VP - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
754 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
RRH - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
R4M - [nb=1] --> .....ENE]OCTA-2,6-DIENOIC ACID
BGV - [nb=1] --> .....[6,5-B]FURAN-4-YL ACETATE
LGD - [nb=1] --> .....METHYL)QUINOLIN-2(1H)-ONE
TMY - [nb=1] --> .....-6-OCTANOYLPHENYL)ACETATE
QHG - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
B66 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
G24 - [nb=1] --> .....METHYLPHENOXY]ACETIC ACID
PLM - [nb=1] --> PALMITIC ACID
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
735 - [nb=1] --> .....YL}PHENOXY)PROPANOIC ACID
XD4 - [nb=1] --> .....-azanyl-3-methyl-benzoate
9FG - [nb=1] --> .....1H-pyrrole-2-carbonitrile
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
RFP - [nb=1] --> RIFAMPICIN
9MA - [nb=1] --> .....azo[1,2-a]pyridin-3-amine
6QE - [nb=1] --> .....yclopropane-1-sulfonamide
4Y5 - [nb=1] --> .....-yl}-3-fluorobenzoic acid
9L1 - [nb=1] --> .....ene-1,3-dicarboxylic acid
AIJ - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
CTI - [nb=1] --> .....,6-c]phenanthridin-12-ium
4KQ - [nb=1] --> .....enyl]phenyl]ethanoic acid
4TN - [nb=1] --> .....YDROXYPHENYL]ACRYLIC ACID
RO0 - [nb=1] --> .....-1-YL]METHYL}ISOQUINOLINE
8XO - [nb=1] --> .....idene)amino]ethanoic acid
PK1 - [nb=1] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
OEF - [nb=1] --> .....OPYL-PHENOXY)BENZOIC ACID
M7S - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
COH - [nb=1] --> .....ORPHYRIN IX CONTAINING CO
BWE - [nb=1] --> .....sulfonylphenyl)ethanamide
DAY - [nb=1] --> .....L-1-YL]-2-HYDROXYETHANONE
6QG - [nb=1] --> .....20,23-octaene-17,17-dione
17L - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
B68 - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
C0R - [nb=1] --> CORTICOSTERONE
YRG - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
5TN - [nb=1] --> .....-2-YL)PHENYL]ACRYLIC ACID
DKD - [nb=1] --> .....)-3-PHENYL-PROPANOIC ACID
EKP - [nb=1] --> .....l}-2-methylpropanoic acid
4P1 - [nb=1] --> .....n-6-yl]-N-methylbenzamide
L92 - [nb=1] --> .....YRROL-1-YL)PROPANOIC ACID
8Y5 - [nb=1] --> .....sulfonylphenyl)ethanamide
SJZ - [nb=1] --> .....-phenyl]prop-2-enoic acid
VYI - [nb=1] --> .....-1,4-BENZOXAZEPIN-6-AMINE
RTE - [nb=1] --> .....2-yl]methoxy}benzoic acid
PNU - [nb=1] --> .....ANYL)-PYRIMIDIN-4-YLAMINE
EHA - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
3RB - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
5IM - [nb=1] --> .....INYL)-1,3-THIAZOL-4-AMINE
KE9 - [nb=1] --> .....-1-YL)PHENYL)ACRYLIC ACID
B9Q - [nb=1] --> .....l]cyclopropanecarboxamide
WFF - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
ECV - [nb=1] --> .....l]-~{N}-methyl-ethanamide
CA4 - [nb=1] --> CYPROTERONE ACETATE
4TU - [nb=1] --> .....HYDROINDOLE-1-CARBOXAMIDE
2PQ - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
3B6 - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
9M7 - [nb=1] --> .....1,2-oxazole-4-carboxamide
IL2 - [nb=1] --> .....H)-YLIDENE]PENTANOIC ACID
AIT - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
VQI - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
2OH - [nb=1] --> .....-PROPANE-2,2-DIYLDIPHENOL
7ET - [nb=1] --> ......1]hept-5-ene-2-sulfonate
F7J - [nb=1] --> .....l-1H-indol-5-yl}benzamide
2E3 - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
24L - [nb=1] --> .....THALEN-2-YL}BUTANOIC ACID
SP0 - [nb=1] --> .....L-5-YL]BENZENESULFONAMIDE
1BA - [nb=1] --> .....OPYLBENZYL)BENZOHYDRAZIDE
DRJ - [nb=1] --> .....XY)-2-METHYLBUTANOIC ACID
XCX - [nb=1] --> .....Y)-2-METHYLPROPANOIC ACID
RB1 - [nb=1] --> .....IMIDIN-3-YL)METHYL]PHENOL
D5H - [nb=1] --> .....pentene-1-carboxylic acid
GLC - [nb=1] --> SUGAR (ALPHA-D-GLUCOSE)
REW - [nb=1] --> .....ETIDINE-2-CARBOXYLIC ACID
2Q4 - [nb=1] --> .....YDROXY-3-METHYLBUTANAMIDE
9GS - [nb=1] --> .....dine]-1'(2'H)-carboxamide
CM3 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
ZK5 - [nb=1] --> 9ALPHA-FLUOROCORTISOL
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
HID - [nb=1] --> .....1H-INDOL-3-YL)ACETIC ACID
BMS - [nb=1] --> .....ONYL)-AMINO]-BENZOIC ACID
DRY - [nb=1] --> .....NDOL-5-YL)OXY]ACETIC ACID
2QO - [nb=1] --> .....YL-3-YL]PROP-2-ENOIC ACID
GRR - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
0W3 - [nb=1] --> .....-DIOXODOCOS-16-ENOIC ACID
77U - [nb=1] --> .....-yl]-3-methylbenzonitrile
5FB - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
TCE - [nb=1] --> .....ANETRIYLTRIPROPANOIC ACID
B0X - [nb=1] --> .....2-yl]methoxy]benzoic acid
WFG - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
7MV - [nb=1] --> .....]-1H-indole-5-carboxamide
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
2VR - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
HFN - [nb=1] --> .....-1,4-benzoxazin-3(4H)-one
208 - [nb=1] --> .....L)-2-ETHOXYPROPANOIC ACID
B9W - [nb=1] --> .....yl-butan-2-yl]propanamide
9LV - [nb=1] --> .....H)-yl}methyl)benzoic acid
17H - [nb=1] --> .....PREGNA-4,9,11-TRIEN-3-ONE
156 - [nb=1] --> .....L)-PROPENYL]-BENZOIC ACID
5VN - [nb=1] --> Caulophyllogenin
EKS - [nb=1] --> .....y}-2-methylpropanoic acid
21L - [nb=1] --> .....APHTHALEN-2-YL}PROPANOATE
OB6 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
088 - [nb=1] --> .....-1-YL)METHYL]BENZOIC ACID
92A - [nb=1] --> .....2-yl]-4-methylpentanamide
442 - [nb=1] --> .....XY)PHENYL]ETHANE-1,1-DIOL
KRC - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
M0T - [nb=1] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
ZXG - [nb=1] --> .....L]PHENYL HYDROGEN SULFATE
87J - [nb=1] --> .....hyl)pyridin-3-yl]methanol
RLL - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
2VZ - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
3WG - [nb=1] --> Trans-nonachlor
Z12 - [nb=1] --> .....PHENYL]BENZENESULFONAMIDE
ZAA - [nb=1] --> .....-TRIAZOL-4-YL)ACETIC ACID
564 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
97A - [nb=1] --> .....fluoromethyl)benzonitrile
T44 - [nb=1] --> .....,5'-TETRAIODO-L-THYRONINE
9NM - [nb=1] --> .....uorophenyl)prop-2-enamide
ENM - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
DRD - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
K10 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
YNU - [nb=1] --> eplerenone
8Y0 - [nb=1] --> .....ec-3-en-1-ylidene]glycine
9M4 - [nb=1] --> .....ino)-2-oxoethyl]benzamide
T51 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
3WF - [nb=1] --> Ethinyl estradiol
CEK - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
NN7 - [nb=1] --> .....METHYL-BENZENESULFONAMIDE
J0W - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
CLR - [nb=1] --> CHOLESTEROL
4Y6 - [nb=1] --> .....x-3-ene-1-carboxylic acid
43M - [nb=1] --> 4-CHLORO-3-METHYLPHENOL
HCJ - [nb=1] --> .....olo[3,2-a]pyrimidin-7-one
OB5 - [nb=1] --> .....]hept-5-ene-2-sulfonamide
FJG - [nb=1] --> .....obutane-1-carboxylic acid
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
3TN - [nb=1] --> .....-2-YL)PHENYL]ACRYLIC ACID
T65 - [nb=1] --> .....idene)amino]ethanoic acid
HC9 - [nb=1] --> .....)-CHOLEST-5-ENE-3,22-DIOL
43V - [nb=1] --> .....sulfonyl)phenyl]acetamide
LG7 - [nb=1] --> .....(3H)-YL]-1-NAPHTHONITRILE
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
LU2 - [nb=1] --> .....IHYDROXY-4H-CHROMEN-4-ONE
7QN - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
P0E - [nb=1] --> PHOSPHATIDYL ETHANOL
184 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
B5R - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
AIU - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
KK4 - [nb=1] --> .....1,2,4-oxadiazol-5(4H)-one
B1O - [nb=1] --> .....2-yl]methoxy]benzoic acid
YTZ - [nb=1] --> .....L-2-YL)BENZENESULFONAMIDE
AIH - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
J35 - [nb=1] --> .....HYL)BENZYL]PENTANOIC ACID
L79 - [nb=1] --> .....AN-2-YL]-2-PROPENOIC ACID
EWN - [nb=1] --> .....~{H}-1,4-benzoxazin-3-one
B05 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
3T2 - [nb=1] --> .....]OCTA-2,4,6-TRIENOIC ACID
C3D - [nb=1] --> .....TETRAHYDRONAPHTHALEN-2-OL
254 - [nb=1] --> .....HTALENE-2-CARBOXYLIC ACID
ARL - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
3SV - [nb=1] --> .....3,7-DIMETHYLOCTANOIC ACID
T53 - [nb=1] --> .....)phenyl]-3-nitrobenzamide
4CZ - [nb=1] --> .....,3-thiazol-2-yl}acetamide
Q35 - [nb=1] --> .....]-2-methyl-propanoic acid
IOG - [nb=1] --> .....)-1H-INDOL-3-YL]ACETAMIDE
FCM - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
CDZ - [nb=1] --> .....)CYCLOHEXA-2,4-DIEN-1-ONE
71W - [nb=1] --> .....6a-hexahydropentalen-1-ol
BKY - [nb=1] --> .....enoxy}methyl)benzoic acid
EQN - [nb=1] --> .....RBONYL]AMINO}BENZOIC ACID
29V - [nb=1] --> .....ENE]OCTA-3,6-DIENOIC ACID
7VA - [nb=1] --> .....,3-thiazolidine-2,4-dione
T35 - [nb=1] --> .....]-2-methyl-propanoic acid
P3A - [nb=1] --> .....LGLYCEROL-PHOSPHOGLYCEROL
PK0 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
0X0 - [nb=1] --> .....hylpentan-3-yl)ethanamide
LD1 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
GQD - [nb=1] --> .....]PHENYL]PROP-2-ENOIC ACID
R8C - [nb=1] --> .....ENYLPROPAN-2-YL]ACETAMIDE
TLS - [nb=1] --> .....IPHENYL-2-CARBOXYLIC ACID
394 - [nb=1] --> .....ACETYLAMINO]-BENZOIC ACID
BJB - [nb=1] --> .....-indol-2-yl]butanoic acid
RLJ - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
M7R - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
JAD - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
CV7 - [nb=1] --> .....ESISOBUYTYRYL CICLESONIDE
PIK - [nb=1] --> .....-1,2-DIYL DIHEXADECANOATE
8Y8 - [nb=1] --> .....sulfonylphenyl)ethanamide
2S0 - [nb=1] --> .....HENANTHREN-17-YL] ACETATE
14R - [nb=1] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
DR9 - [nb=1] --> .....OYL PHOSPHATIDYL GLYCEROL
8N6 - [nb=1] --> .....,3-thiazolidine-2,4-dione
OKH - [nb=1] --> .....IDAZOLE-6-CARBOXYLIC ACID
8Y2 - [nb=1] --> .....)thiophen-2-yl]ethanamide
3E7 - [nb=1] --> .....]-1H-INDOLE-5-CARBOXAMIDE
927 - [nb=1] --> .....yl}amino]phenyl}benzamide
J53 - [nb=1] --> .....THYL]BENZYL}BUTANOIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
H_NR3A1_ERa
502
100%
0.34
PF00105
78.2
0 -
(0)
?
132
/
327
/
43
221
2
H_NR1C3_PPARg
247
100%
0.44
PF00105
66.7
0 -
(0)
?
82
/
84
/
78
150
3
H_NR1F3_RORg
155
100%
0.29
PF00105
56.4
0 -
(0)
?
82
/
59
/
14
74
4
H_NR1H4_FXR
126
100%
0.33
PF00105
51.9
0 -
(0)
?
102
/
15
/
9
75
5
H_NR3C4_ANDR
97
100%
0.21
-
66.6
0 -
(0)
?
6
/
77
/
14
35
6
H_NR2B1_RXRa
89
100%
0.38
PF00105
85.9
0 -
(0)
?
23
/
50
/
11
44
7
H_NR3A2_ERb
68
100%
0.28
PF00105
78.0
0 -
(0)
?
3
/
53
/
12
30
8
H_NR1C2_PPARb
58
100%
0.49
PF00105
89.8
0 -
(0)
?
- / - /
37
4
9
H_NR3C1_GCR
44
99%
0.20
PF00105
68.1
0 -
(0)
?
22
/
15
/
8
18
10
H_NR3C2_MCR
35
99%
0.16
PF00105
76.9
0 -
(0)
?
9
/
26
/
1
20
11
H_NR3C3_PRGR
33
100%
0.23
PF00105
81.4
0 -
(0)
?
8
/
25
/ -
16
12
H_NR1H2_LXRb
32
100%
0.45
PF00105
67.7
0 -
(0)
?
19
/
8
/
3
14
13
H_NR4A1_NGFIB
27
100%
0.27
PF00105
50.0
0 -
(0)
?
- / - /
3
2
14
H_NR1C1_PPARa
26
100%
0.48
PF00105
74.5
0 -
(0)
?
13
/
10
/
3
17
15
H_NR1I2_PXR
25
100%
0.42
PF00105
63.2
0 -
(0)
?
3
/
18
/
4
13
16
H_NR1A2_THRb
22
100%
0.29
PF00105
82.9
0 -
(0)
?
7
/
15
/ -
9
17
H_NR3B3_ERRg
21
100%
0.32
PF00105
61.2
0 -
(0)
?
3
/
14
/
3
8
18
H_NR5A2_LRH1
18
100%
0.27
PF00105
81.1
0 -
(0)
?
13
/
5
/ -
8
19
H_NR1H3_LXRa
15
100%
0.37
PF00105
83.2
0 -
(0)
?
11
/
4
/ -
9
20
H_NR1B2_RARb
14
100%
0.32
PF00105
92.3
0 -
(0)
?
9
/
5
/ -
5
21
H_NR1B3_RARg
10
100%
0.45
PF00105
92.2
0 -
(0)
?
8
/
2
/ -
9
22
H_NR1B1_RARa
8
100%
0.30
PF00105
84.9
0 -
(0)
?
5
/
1
/
2
6
23
H_NR1A1_THRa
8
100%
0.22
PF00105
84.7
0 -
(0)
?
- /
8
/ -
4
24
H_NR5A1_STF1
8
99%
0.32
PF00105
95.2
0 -
(0)
?
8
/ - / -
6
25
H_NR2A1_HNF4a
6
100%
0.28
PF00105
98.6
0 -
(0)
?
- /
2
/
4
2
26
H_NR2B2_RXRb
5
100%
0.30
PF00105
93.9
0 -
(0)
?
4
/ - /
1
2
27
H_NR1F1_RORa
4
100%
0.36
PF00105
88.0
0 -
(0)
?
2
/
2
/ -
3
28
H_NR1F2_RORb
3
98%
0.44
PF00105
83.4
0 -
(0)
?
- /
3
/ -
3
29
H_NR3B1_ERRa
3
100%
0.28
PF00105
64.6
0 -
(0)
?
2
/
1
/ -
2
30
H_NR1D2_REVb
2
99%
0.23
-
100.0
0 -
(0)
?
2
/ - / -
2
31
H_NR2A2_HNF4g
1
100%
0.24
PF00105
87.5
0 -
(0)
?
- /
1
/ -
1
32
H_NR1I3_CAR
1
98%
0.41
PF00105
100.0
0 -
(0)
?
1
/ - / -
1
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