Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_MOUSE_I50_201601 (Jan 2016)
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Data.csv
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3D Models
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Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
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Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
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
DHT - [nb=82] --> DIHYDROTESTOSTERONE
REA - [nb=78] --> RETINOIC ACID
EST - [nb=55] --> ESTRADIOL
STR - [nb=47] --> PROGESTERONE
DEX - [nb=38] --> DEXAMETHASONE
1CA - [nb=32] --> DESOXYCORTICOSTERONE
198 - [nb=24] --> R-BICALUTAMIDE
TES - [nb=24] --> TESTOSTERONE
R18 - [nb=20] --> .....LESTRA-4,9,11-TRIEN-3-ONE
OHT - [nb=19] --> 4-HYDROXYTAMOXIFEN
MOF - [nb=19] --> MOMETASONE FUROATE
486 - [nb=18] --> .....PENTA[A]PHENANTHREN-3-ONE
444 - [nb=18] --> .....PHENYL}BENZENESULFONAMIDE
OR8 - [nb=16] --> .....1H-PYRAZOLE-4-SULFONAMIDE
AS0 - [nb=16] --> .....-11-YL]BENZALDEHYDE OXIME
VCA - [nb=15] --> VACCENIC ACID
TXF - [nb=15] --> .....-PHENYLPENT-1-ENYL)PHENOL
BM6 - [nb=15] --> .....OXOLAN-2-YL]-BENZOIC ACID
PTG - [nb=14] --> .....,12,14-TETRAEN-1-OIC ACID
4HY - [nb=14] --> .....IIODO-PHENYL]-ACETIC ACID
SNL - [nb=12] --> SPIRONOLACTONE
ET1 - [nb=12] --> .....INDOL-3-YL}PROPANOIC ACID
F15 - [nb=12] --> PENTADECANOIC ACID
I0G - [nb=12] --> .....CYCLOPENTA[C]CHROMEN-8-OL
LG2 - [nb=12] --> .....YRIDINE-3-CARBOXYLIC ACID
DES - [nb=12] --> DIETHYLSTILBESTROL
LRG - [nb=12] --> .....Y)-3-PHENYLPROPANOIC ACID
T3 - [nb=12] --> 3,5,3'TRIIODOTHYRONINE
EPH - [nb=11] --> .....-PHOSPHATIDYLETHANOLAMINE
GEN - [nb=11] --> GENISTEIN
NDR - [nb=11] --> NORETHINDRONE
IMN - [nb=10] --> INDOMETHACIN
KN1 - [nb=10] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
KN3 - [nb=10] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
IL2 - [nb=9] --> .....H)-YLIDENE]PENTANOIC ACID
FHM - [nb=9] --> .....METHYL)PHENYL]PROPANAMIDE
4P3 - [nb=9] --> .....xy)biphenyl-3-carboxamide
JZN - [nb=9] --> .....L]CARBONYL}-D-PROLINAMIDE
T9T - [nb=9] --> TRIPHENYLSTANNANYL
OCR - [nb=9] --> .....5,8,11,13-TETRAENOIC ACID
965 - [nb=9] --> .....ROPOXY)PHENYL]ACETIC ACID
2OH - [nb=9] --> .....-PROPANE-2,2-DIYLDIPHENOL
TTB - [nb=9] --> .....)PROP-1-ENYL]BENZOIC ACID
DC8 - [nb=8] --> .....CYCLOPENTA[C]CHROMEN-8-OL
T98 - [nb=8] --> .....1H-PYRROLE-2-CARBONITRILE
471 - [nb=8] --> .....PHENYL}PROPYL)PROPANAMIDE
30X - [nb=8] --> .....LUOROETHYL)-L-ALANINAMIDE
AEJ - [nb=8] --> .....ETRAHYDROISOQUINOLIN-6-OL
GKK - [nb=8] --> .....BENZYL]AMINO}BENZONITRILE
072 - [nb=8] --> .....PTYL-4-OXO-5-THIAZOLIDINE
ORB - [nb=8] --> .....YLISOXAZOLE-4-SULFONAMIDE
4D8 - [nb=8] --> .....4-DIENE-4-CARBOXYLIC ACID
KN0 - [nb=8] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
4Q3 - [nb=8] --> .....-fluoro-N-methylbenzamide
MLO - [nb=8] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
AJA - [nb=8] --> .....HROMENE-9-CARBOXYLIC ACID
244 - [nb=8] --> .....ZOFURAN-7-YL]ACETONITRILE
Y1N - [nb=8] --> .....YL]PHENOXY]PROPANOIC ACID
AS4 - [nb=7] --> ALDOSTERONE
NOG - [nb=7] --> .....ETA-HYDROXYGON-4-EN-3-ONE
TBY - [nb=7] --> TRIBUTYLSTANNANYL
44B - [nb=7] --> .....)AMINO]PHENYL}PROPAN-2-OL
WY1 - [nb=7] --> .....2-YL}SULFANYL)ACETIC ACID
MYI - [nb=7] --> .....1H-INDOL-3-YL)ACETIC ACID
3EA - [nb=6] --> .....]INDOL-1-YL}ETHANOIC ACID
EQO - [nb=6] --> .....2-YL]ETHENYL}BENZOIC ACID
21P - [nb=6] --> .....IOXOLAN-2-YL]BENZOIC ACID
F22 - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
SP3 - [nb=6] --> .....METHYL)BENZENESULFONAMIDE
S44 - [nb=6] --> .....THYL}BENZYL)BUTANOIC ACID
OCX - [nb=6] --> .....5,9,11,14-TETRAENOIC ACID
047 - [nb=6] --> .....L-3-YL]METHYL}METHANAMINE
HFT - [nb=6] --> HYDROXYFLUTAMIDE
JYI - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
JYH - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
K55 - [nb=6] --> .....THYL]BENZYL}BUTANOIC ACID
RHN - [nb=6] --> .....HRACENE-2-CARBOXYLIC ACID
LNA - [nb=6] --> .....CTADECA-9,12-DIENOIC ACID
4HD - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
GW5 - [nb=6] --> .....-ENYL]PHENYL}ACRYLIC ACID
SF2 - [nb=6] --> .....-INDOLE-2-CARBOXYLIC ACID
RAL - [nb=6] --> RALOXIFENE
1FA - [nb=6] --> .....NDEN-4-YL)OXY]ACETIC ACID
Z00 - [nb=6] --> .....L-2-YL)BENZENESULFONAMIDE
3EQ - [nb=6] --> .....ALEN-1-YL)OXY]ACETIC ACID
243 - [nb=6] --> .....CTADECA-9,11-DIENOIC ACID
538 - [nb=6] --> .....IPHENYL-2-CARBOXYLIC ACID
CLR - [nb=6] --> CHOLESTEROL
L41 - [nb=6] --> .....OPOXY]PHENOXY}ACETIC ACID
GW6 - [nb=6] --> .....17-YL FURAN-2-CARBOXYLATE
331 - [nb=6] --> .....OXY)-2-METHYLBUTYRIC ACID
LUF - [nb=6] --> .....-5-HYDROXYFURAN-2(5H)-ONE
YFD - [nb=6] --> AMORFRUTIN 2
DY6 - [nb=6] --> .....RBONYL}AMINO)BENZOIC ACID
401 - [nb=6] --> .....THOXYBENZYL}BUTANOIC ACID
K08 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
3TN - [nb=6] --> .....-2-YL)PHENYL]ACRYLIC ACID
9RA - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
K09 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
961 - [nb=6] --> .....ACETYLAMINO]-BENZOIC ACID
866 - [nb=6] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
564 - [nb=6] --> .....HTALENE-2-CARBOXYLIC ACID
1NY - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
EQN - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
STL - [nb=6] --> RESVERATROL
HC3 - [nb=5] --> 25-HYDROXYCHOLESTEROL
RO7 - [nb=5] --> .....OPHEN-7-YL}PROPANOIC ACID
AZ2 - [nb=5] --> .....OXY)PHENYL]PROPANOIC ACID
61X - [nb=5] --> .....TRIFLUOROMETHYL)QUINOLINE
3QQ - [nb=5] --> .....no}pyridine-3-sulfonamide
DRH - [nb=5] --> .....XY)-2-METHYLBUTANOIC ACID
UNT - [nb=5] --> .....IAZOL-2-YL)PROPANOIC ACID
VDX - [nb=5] --> .....LENE-CYCLOHEXANE-1,3-DIOL
240 - [nb=5] --> .....YL}PHENOXY)PROPANOIC ACID
3SN - [nb=5] --> .....lobutylbenzenesulfonamide
SF1 - [nb=5] --> .....-INDOLE-2-CARBOXYLIC ACID
JJ3 - [nb=5] --> .....CYCLOPENTA[C]CHROMEN-8-OL
DGX - [nb=5] --> DIGOXIN
5HE - [nb=5] --> .....,11,14,17-PENTAENOIC ACID
9HO - [nb=5] --> .....TADECA-10,12-DIENOIC ACID
HIG - [nb=5] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
GW9 - [nb=5] --> .....5-NITRO-N-PHENYLBENZAMIDE
13M - [nb=5] --> .....THYL}BENZYL)BUTANOIC ACID
5OX - [nb=5] --> .....,14,17,20-PENTAENOIC ACID
196 - [nb=5] --> .....-HYDROXY-1-NAPHTHONITRILE
YFE - [nb=5] --> AMORFRUTIN 1
NBH - [nb=5] --> .....SULFONYL)PHENYL]ACETAMIDE
Z27 - [nb=5] --> .....METHYL)BENZENESULFONAMIDE
WLM - [nb=5] --> .....YL]PHENYL]ETHYL]BENZAMIDE
08S - [nb=5] --> .....ZOTHIOPHENE-2-CARBOXAMIDE
BIV - [nb=5] --> .....YLPENTYL)-, (1A,3B,5Z,7E)
SRO - [nb=5] --> SEROTONIN
C08 - [nb=5] --> .....L-KAPPAN}PENTANOATO)BORON
3JX - [nb=5] --> .....IPHENYL-2-CARBOXYLIC ACID
CTM - [nb=5] --> .....L)-2-ETHOXYPROPANOIC ACID
39K - [nb=5] --> .....-PHENYLMETHANESULFONAMIDE
3SX - [nb=5] --> .....-phenylmethanesulfonamide
5FB - [nb=5] --> .....FLUOROMETHYL)BENZONITRILE
5BC - [nb=4] --> .....1H-INDOL-1-YL)ACETIC ACID
3AS - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
1GM - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
FSV - [nb=4] --> .....)ETHENYL]BENZENE-1,3-DIOL
041 - [nb=4] --> .....VINYL-1,3-BENZOXAZOL-5-OL
KN2 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
15Q - [nb=4] --> .....METHYL]BIPHENYL-4,4'-DIOL
1GS - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
LX2 - [nb=4] --> .....1H-INDOL-1-YL]ACETIC ACID
PIQ - [nb=4] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
IOK - [nb=4] --> .....L-1H-INDOL-3-YL)ACETAMIDE
WV7 - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
LLB - [nb=4] --> .....L)ETHOXY]PHENYL}METHANONE
A48 - [nb=4] --> .....IFLUOROETHYL)AMINO]PHENOL
EZT - [nb=4] --> .....(10),2,4-TRIENE-3,17-DIOL
470 - [nb=4] --> .....YDROPENTALEN-3A(1H)-AMINE
85Z - [nb=4] --> .....]PHENYL]PROP-2-ENOIC ACID
3K2 - [nb=4] --> .....IPHENYL-2-CARBOXYLIC ACID
PIZ - [nb=4] --> .....-1,2-DIYL DIHEXADECANOATE
OBH - [nb=4] --> ......1]hept-5-ene-2-sulfonate
YJD - [nb=4] --> .....YBENZIMIDAZOL-1-YL)PHENOL
P6L - [nb=4] --> .....PYL (8E)-OCTADEC-8-ENOATE
EES - [nb=4] --> .....XYPHENYL)-2H-INDAZOL-5-OL
ODE - [nb=4] --> .....T-5-ENE-2,3-DICARBOXYLATE
C0R - [nb=4] --> CORTICOSTERONE
JJA - [nb=4] --> .....YL]AMINO}METHYL)BENZAMIDE
HFN - [nb=4] --> .....-1,4-benzoxazin-3(4H)-one
0KT - [nb=4] --> .....PHENYL)BENZENESULFONAMIDE
NZA - [nb=4] --> .....-INDOLE-2-CARBOXYLIC ACID
W14 - [nb=4] --> .....ETRAHYDROISOQUINOLIN-7-OL
EI1 - [nb=4] --> .....XYPHENYL)-2H-INDAZOL-5-OL
1GT - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
1GR - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
WST - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-9-OL
O90 - [nb=4] --> .....LFANYL]PHENYL}ACETIC ACID
1GU - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
EED - [nb=4] --> .....(10),2,4-TRIENE-3,17-DIOL
LLC - [nb=4] --> .....YLETHOXY)PHENYL]METHANONE
1GV - [nb=4] --> .....5-DIYLBIS(3-METHYLPHENOL)
J2Z - [nb=4] --> .....RA-1,3,5(10)-TRIEN-17-ONE
O40 - [nb=4] --> .....BAMOYL]AMINO}BENZOIC ACID
XPT - [nb=4] --> .....AMBDA~4~-SULFANYL]PROPANE
XDH - [nb=4] --> .....YLBIS(2,6-DICHLOROPHENOL)
MMB - [nb=4] --> .....ROPOXYIMINO)BUTANOIC ACID
CO1 - [nb=4] --> .....OPENTA[A]PHENANTHREN-3-OL
4KM - [nb=4] --> .....(trifluoromethyl)benzoate
WOW - [nb=4] --> .....N-3-YL]AMINO}BENZONITRILE
PEF - [nb=4] --> .....-PHOSPHATIDYLETHANOLAMINE
A2K - [nb=4] --> .....PENTA[A]PHENANTHREN-3-ONE
ESE - [nb=4] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
ORC - [nb=4] --> .....YLISOXAZOLE-4-SULFONAMIDE
PLB - [nb=4] --> .....IDIN-2-YLOXY)BENZOIC ACID
2S0 - [nb=4] --> .....HENANTHREN-17-YL] ACETATE
0L8 - [nb=4] --> .....DROXYMETHYL)BIPHENYL-4-OL
4OH - [nb=4] --> .....-TRIENE-3,15,16,17-TETROL
LD1 - [nb=4] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
66B - [nb=4] --> .....,15,18,21-PENTAENOIC ACID
HZ3 - [nb=4] --> .....5-DIENE-2,3-DICARBOXYLATE
ZTW - [nb=4] --> RALOXIFENE CORE
PFA - [nb=4] --> .....ETHYL-PHENYL]-6-AZAURACIL
NRO - [nb=4] --> .....L)FURAN-2-YL]BENZOIC ACID
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
1HP - [nb=4] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
LO2 - [nb=4] --> .....3,3-HEXAFLUOROPROPAN-2-OL
1GJ - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
4NA - [nb=4] --> .....HYDROXYPHENYL)-2-NAPHTHOL
W23 - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
CA4 - [nb=3] --> CYPROTERONE ACETATE
XDI - [nb=3] --> .....IYLBIS(2,6-DIBROMOPHENOL)
B68 - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
PK1 - [nb=3] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
L79 - [nb=3] --> .....AN-2-YL]-2-PROPENOIC ACID
GW0 - [nb=3] --> .....METHYLPHENOXY}ACETIC ACID
2VP - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
BMS - [nb=3] --> .....ONYL)-AMINO]-BENZOIC ACID
TLS - [nb=3] --> .....IPHENYL-2-CARBOXYLIC ACID
2QO - [nb=3] --> .....YL-3-YL]PROP-2-ENOIC ACID
LGD - [nb=3] --> .....METHYL)QUINOLIN-2(1H)-ONE
EPA - [nb=3] --> .....,17-EICOSAPENTAENOIC ACID
40U - [nb=3] --> .....L}-2-CYCLOPROPYLACETAMIDE
HC2 - [nb=3] --> 20-HYDROXYCHOLESTEROL
YFB - [nb=3] --> AMORFRUTIN B
KNA - [nb=3] --> NONANOIC ACID
21L - [nb=3] --> .....APHTHALEN-2-YL}PROPANOATE
YRG - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
LSJ - [nb=3] --> .....PHENYL}METHANESULFONAMIDE
DKD - [nb=3] --> .....)-3-PHENYL-PROPANOIC ACID
ENM - [nb=3] --> .....PENTA[A]PHENANTHREN-3-ONE
GRR - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
24L - [nb=3] --> .....THALEN-2-YL}BUTANOIC ACID
3RB - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
RLJ - [nb=3] --> .....DROXY-2-METHYLPROPANAMIDE
HID - [nb=3] --> .....1H-INDOL-3-YL)ACETIC ACID
1BA - [nb=3] --> .....OPYLBENZYL)BENZOHYDRAZIDE
RRG - [nb=3] --> .....L-4-YL]OXY}PROPANOIC ACID
4R8 - [nb=3] --> .....,13,16,19-PENTAENOIC ACID
1OH - [nb=3] --> .....THYL-1-PHENYLETHYL)PHENOL
43V - [nb=3] --> .....sulfonyl)phenyl]acetamide
OLA - [nb=3] --> OLEIC ACID
DRY - [nb=3] --> .....NDOL-5-YL)OXY]ACETIC ACID
056 - [nb=3] --> .....LFANYLMETHYL]BENZOIC ACID
EK1 - [nb=3] --> .....HYL)PHENYL]PROPANOIC ACID
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
652 - [nb=3] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
WFF - [nb=3] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
8NH - [nb=3] --> .....-YL]-3-METHYLBENZONITRILE
156 - [nb=3] --> .....L)-PROPENYL]-BENZOIC ACID
697 - [nb=3] --> .....BENZOFURAN-7-CARBONITRILE
ETC - [nb=3] --> .....TRAHYDROCHRYSENE-2,8-DIOL
MEI - [nb=3] --> .....YLDODECA-2,4-DIENOIC ACID
B5R - [nb=3] --> .....DROXY-2-METHYLPROPANAMIDE
3B6 - [nb=3] --> .....DROXY-2-METHYLPROPANAMIDE
184 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
M7S - [nb=3] --> .....HYL}PHENYL)PROPANOIC ACID
WFG - [nb=3] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
3SV - [nb=3] --> .....3,7-DIMETHYLOCTANOIC ACID
LX8 - [nb=3] --> .....-2-YL]PROPAN-2-YL ACETATE
EK8 - [nb=3] --> .....POXYPHENYL]PROPANOIC ACID
JAD - [nb=3] --> .....-YL]-3-METHYLBENZONITRILE
DRJ - [nb=3] --> .....XY)-2-METHYLBUTANOIC ACID
RLL - [nb=3] --> .....DROXY-2-METHYLPROPANAMIDE
LG7 - [nb=3] --> .....(3H)-YL]-1-NAPHTHONITRILE
ZK5 - [nb=3] --> 9ALPHA-FLUOROCORTISOL
C3S - [nb=3] --> .....-EN-3-YL HYDROGEN SULFATE
NSI - [nb=3] --> .....]-1H-INDOLE-2-CARBOXAMIDE
394 - [nb=3] --> .....ACETYLAMINO]-BENZOIC ACID
CHD - [nb=3] --> CHOLIC ACID
3E0 - [nb=3] --> .....3-thiazol-2-yl]morpholine
14R - [nb=3] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
4TN - [nb=3] --> .....YDROXYPHENYL]ACRYLIC ACID
BGV - [nb=3] --> .....[6,5-B]FURAN-4-YL ACETATE
HC9 - [nb=3] --> .....)-CHOLEST-5-ENE-3,22-DIOL
208 - [nb=3] --> .....L)-2-ETHOXYPROPANOIC ACID
TEJ - [nb=3] --> .....,10,25(27)-TETRAEN-26-ONE
5TN - [nb=3] --> .....-2-YL)PHENYL]ACRYLIC ACID
L92 - [nb=3] --> .....YRROL-1-YL)PROPANOIC ACID
BHM - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
RO0 - [nb=3] --> .....-1-YL]METHYL}ISOQUINOLINE
LGB - [nb=3] --> .....INO}-3-METHYLBENZONITRILE
DRD - [nb=3] --> .....Y]-2-METHYLPROPANOIC ACID
B67 - [nb=3] --> .....FLUOROPHENOXY)PROPANAMIDE
2W0 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
DAY - [nb=3] --> .....L-1-YL]-2-HYDROXYETHANONE
NN7 - [nb=3] --> .....METHYL-BENZENESULFONAMIDE
C01 - [nb=3] --> .....ISOXAZOL-6-YL)OXY]ACETATE
241 - [nb=3] --> .....YL}PHENOXY)PROPANOIC ACID
29V - [nb=3] --> .....ENE]OCTA-3,6-DIENOIC ACID
HXA - [nb=3] --> .....0,13,16,19-HEXAENOIC ACID
M7R - [nb=3] --> .....HYL}PHENYL)PROPANOIC ACID
754 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
B66 - [nb=3] --> .....FLUOROMETHYL)BENZONITRILE
ZBD - [nb=3] --> .....-2-yl]-N-methylbutanamide
17H - [nb=3] --> .....PREGNA-4,9,11-TRIEN-3-ONE
2VZ - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
J35 - [nb=3] --> .....HYL)BENZYL]PENTANOIC ACID
AIT - [nb=3] --> .....DRO-1,4-BENZOXATHIIN-6-OL
PK0 - [nb=3] --> .....FLUOROMETHYL)BENZONITRILE
1O8 - [nb=3] --> .....LOCTA-2,4,6-TRIENOIC ACID
GW4 - [nb=3] --> .....Y]PHENYL}PROPYL]ACETAMIDE
R4M - [nb=3] --> .....ENE]OCTA-2,6-DIENOIC ACID
2E3 - [nb=3] --> .....)PHENYL]PROP-2-ENOIC ACID
JZS - [nb=3] --> .....1H-INDAZOL-1-YL)BENZAMIDE
KRC - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
2VR - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
254 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
17L - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
3OZ - [nb=3] --> .....METHYLPHENOXY]ACETIC ACID
P26 - [nb=3] --> .....IOXOLAN-2-YL]BENZOIC ACID
43M - [nb=3] --> 4-CHLORO-3-METHYLPHENOL
3T2 - [nb=3] --> .....]OCTA-2,4,6-TRIENOIC ACID
29M - [nb=3] --> .....L-7-YL]METHANESULFONAMIDE
ZXG - [nb=2] --> .....L]PHENYL HYDROGEN SULFATE
DKA - [nb=2] --> DECANOIC ACID
FMV - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
27E - [nb=2] --> CHLORDECONE
ZAA - [nb=2] --> .....-TRIAZOL-4-YL)ACETIC ACID
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
ARL - [nb=2] --> .....LOCTA-2,4,6-TRIENOIC ACID
0VQ - [nb=2] --> .....METHYL)OCTA-3,5-DIEN-2-OL
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
CTI - [nb=2] --> .....,6-c]phenanthridin-12-ium
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
EHA - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
36M - [nb=2] --> propyl 4-hydroxybenzoate
IH5 - [nb=2] --> .....HENOXY]PHENYL}ACETIC ACID
MSZ - [nb=2] --> .....HYL)PHENOXY]ETHANOIC ACID
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
P3A - [nb=2] --> .....LGLYCEROL-PHOSPHOGLYCEROL
XCX - [nb=2] --> .....Y)-2-METHYLPROPANOIC ACID
C3D - [nb=2] --> .....TETRAHYDRONAPHTHALEN-2-OL
LU2 - [nb=2] --> .....IHYDROXY-4H-CHROMEN-4-ONE
PLC - [nb=2] --> .....ECYL PHOSPHATIDYL CHOLINE
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
4P1 - [nb=2] --> .....n-6-yl]-N-methylbenzamide
T44 - [nb=2] --> .....,5'-TETRAIODO-L-THYRONINE
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
G24 - [nb=2] --> .....METHYLPHENOXY]ACETIC ACID
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
0CZ - [nb=2] --> .....PROPANE-2,2-DIYL)DIPHENOL
ZZH - [nb=2] --> .....Y)-3-PHENYLPROPANOIC ACID
CA9 - [nb=2] --> .....L-CYCLOHEX-4-ENE-1,3-DIOL
735 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
27J - [nb=2] --> ALPHA-ZEARALANOL
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
AIH - [nb=2] --> .....DRO-1,4-BENZOXATHIIN-6-OL
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
FCM - [nb=2] --> .....O[B,D]FURAN-4-CARBOXAMIDE
1GQ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
4KQ - [nb=2] --> .....enyl]phenyl]ethanoic acid
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
VD4 - [nb=2] --> .....OESTRA-5,7-DIENE-1,3-DIOL
6OC - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
EEU - [nb=2] --> .....RIDINIUM TETRAACETIC ACID
AIJ - [nb=2] --> .....DRO-1,4-BENZOXATHIIN-6-OL
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
CM3 - [nb=2] --> .....THOXY)PHENYL]CHROMAN-6-OL
369 - [nb=2] --> .....)-7-METHYLNAPHTHALEN-2-OL
MCZ - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
G58 - [nb=2] --> .....H-IMIDAZOLE-4-SULFONAMIDE
J3Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
0VP - [nb=2] --> .....BIPHENYL-4-YL)PENTAN-3-OL
E4D - [nb=2] --> .....ENZO[B][1,4]OXATHIIN-6-OL
RRH - [nb=2] --> .....L-4-YL]OXY}PROPANOIC ACID
FBR - [nb=2] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
CM4 - [nb=2] --> .....THOXY)PHENYL]CHROMAN-6-OL
Z12 - [nb=2] --> .....PHENYL]BENZENESULFONAMIDE
D30 - [nb=2] --> .....ALEN-1-YL)OXY]ACETIC ACID
K10 - [nb=2] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
CEK - [nb=2] --> .....O[B,D]FURAN-4-CARBOXAMIDE
AIU - [nb=2] --> .....DRO-1,4-BENZOXATHIIN-6-OL
SRL - [nb=2] --> .....HONIC ACID DIETHLYL ESTER
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
PIK - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
ESL - [nb=2] --> ESTRIOL
27H - [nb=2] --> FERUTININE
Q97 - [nb=2] --> .....T-1-ENE-1,2-DIYL]DIPHENOL
SP0 - [nb=2] --> .....L-5-YL]BENZENESULFONAMIDE
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
6OB - [nb=2] --> .....CTADECA-8,12-DIENOIC ACID
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
AXY - [nb=2] --> .....YL-4-YLOXY)PROPANOIC ACID
DIF - [nb=2] --> .....)AMINO]BENZENEACETIC ACID
L4G - [nb=2] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
M0T - [nb=2] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
0W3 - [nb=2] --> .....-DIOXODOCOS-16-ENOIC ACID
RB1 - [nb=2] --> .....IMIDIN-3-YL)METHYL]PHENOL
P0E - [nb=2] --> PHOSPHATIDYL ETHANOL
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
IOG - [nb=2] --> .....)-1H-INDOL-3-YL]ACETAMIDE
2PQ - [nb=2] --> .....Y]-2-METHYLPROPANOIC ACID
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
DS6 - [nb=1] --> .....HYLPHENOXY]PENTANOIC ACID
0VO - [nb=1] --> .....3-ETHYLNONA-4,6-DIEN-3-OL
OKH - [nb=1] --> .....IDAZOLE-6-CARBOXYLIC ACID
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
23R - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
3EV - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
EIM - [nb=1] --> .....DENE-CYCLOHEXANE-1,3-DIOL
YSD - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
10S - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
TFY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
H97 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
2MV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
ET0 - [nb=1] --> .....INDOL-3-YL)PROPANOIC ACID
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
458 - [nb=1] --> ......3.1]NON-7-EN-2-YL]PHENOL
MVD - [nb=1] --> .....A,25-DIHYDROXY-VITAMIN D3
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
C3O - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
BPZ - [nb=1] --> .....LOHEXANE-1,1-DIYLDIPHENOL
ED9 - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
VDA - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
DS4 - [nb=1] --> .....BIPHENYL-4-YL]ACETIC ACID
17M - [nb=1] --> .....17-ALPHA-DIHYDROEQUILENIN
088 - [nb=1] --> .....-1-YL)METHYL]BENZOIC ACID
OCC - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
VDZ - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
CDZ - [nb=1] --> .....)CYCLOHEXA-2,4-DIEN-1-ONE
TX5 - [nb=1] --> .....DENE)CYCLOHEXANE-1,3-DIOL
4OA - [nb=1] --> .....HYDROXYCHOLAN-24-OIC ACID
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
10R - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
ZNE - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
397 - [nb=1] --> .....XY-PHENYL)BENZOFURAN-5-OL
36J - [nb=1] --> .....zoxacyclotetradecin-1-one
VD5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
XE4 - [nb=1] --> .....]ETHYLIDENE]-, (1R,3S,5Z)
TEY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
NEQ - [nb=1] --> N-ETHYLMALEIMIDE
3AJ - [nb=1] --> .....)CYCLOPROPANECARBONITRILE
OEF - [nb=1] --> .....OPYL-PHENOXY)BENZOIC ACID
2Q4 - [nb=1] --> .....YDROXY-3-METHYLBUTANAMIDE
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
0KS - [nb=1] --> .....-METHYLBENZENESULFONAMIDE
EB1 - [nb=1] --> SEOCALCITOL
ZYD - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
YS5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
064 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
0VK - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
COV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
MC9 - [nb=1] --> CALCIPOTRIOL
RFP - [nb=1] --> RIFAMPICIN
C5D - [nb=1] --> .....DENE]CYCLOHEXANE-1,3-DIOL
0U3 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
DS2 - [nb=1] --> .....METHYLPHENOXY}ACETIC ACID
0CO - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
VDB - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
DS5 - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
643 - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
G72 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
0S4 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
C33 - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
2KB - [nb=1] --> .....en-2-yl]oxy}butanenitrile
PNU - [nb=1] --> .....ANYL)-PYRIMIDIN-4-YLAMINE
6DS - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
DS3 - [nb=1] --> .....HYLPHENOXY}PENTANOIC ACID
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
YS3 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
O1C - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
KH1 - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
33Y - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
VHW - [nb=1] --> .....LATE (NON-PREFERRED NAME)
3WF - [nb=1] --> Ethinyl estradiol
484 - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
STE - [nb=1] --> STEARIC 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
M_NR1C3_PPARG
201
98%
0.615
PF00105
C3_S1
240 -
(0)
20
58
/
87
/
53
105
2
M_NR3A1_ESR1
219
97%
0.754
PF00105
C4_S1
240 -
(0)
20
33
/
148
/
36
85
3
M_NR3A2_ESR2
191
97%
0.666
PF00105
C3_S1
212 -
(0)
20
28
/
132
/
30
77
4
M_NR1C1_PPARA
208
92%
0.825
PF00105
C6_S1
251 -
(0)
20
22
/
99
/
87
71
5
M_NR1C2_PPARD
138
94%
0.678
PF00105
C4_S1
248 -
(0)
20
18
/
70
/
48
63
6
M_NR1I1_VDR
73
99%
0.553
PF00105
C1_S1
85 -
(0)
20
70
/
3
/ -
55
7
M_NR3C4_ANDR
137
100%
0.756
PF00105
C2_S1
192 -
(0)
20
8
/
114
/
14
44
8
M_NR3C3_PRGR
167
96%
0.822
PF00105
C2_S1
224 -
(0)
20
17
/
132
/
18
39
9
M_NR3C2_MCR
167
95%
0.613
PF00105
C5_S1
213 -
(0)
20
9
/
129
/
28
33
10
M_NR2B1_RXRA
76
100%
0.659
PF00105
C3_S1
93 -
(0)
20
21
/
38
/
10
31
11
M_NR2B3_RXRG
80
98%
0.524
PF00105
C2_S1
92 -
(0)
20
21
/
38
/
11
31
12
M_NR2B2_RXRB
77
98%
0.552
PF00105
C2_S1
93 -
(0)
19
21
/
38
/
10
31
13
M_NR3C1_GCR
90
99%
0.633
PF00105
C1_S1
112 -
(0)
20
19
/
68
/
3
29
14
M_NR1H4_FXR
40
98%
0.697
PF00105
C2_S1
58 -
(0)
20
33
/
4
/
3
17
15
M_NR1F2_RORB
21
99%
0.834
PF00105
C1_S1
39 -
(0)
20
2
/
19
/
1
16
16
M_NR1F1_RORA
38
100%
0.806
PF00105
C2_S1
56 -
(0)
20
2
/
31
/
4
15
17
M_NR1F3_RORG
34
91%
0.632
PF00105
C2_S1
56 -
(0)
20
9
/
24
/
2
15
18
M_NR1B1_RARA
32
100%
0.581
PF00105
C6_S1
50 -
(0)
20
22
/
8
/
2
15
19
M_NR1B3_RARG
32
100%
0.868
PF00105
C4_S1
50 -
(0)
20
22
/
9
/
1
15
20
M_NR1H2_LXRb
33
99%
0.662
PF00105
C2_S1
55 -
(0)
20
19
/
8
/
4
15
21
M_NR1B2_RARB
32
100%
0.528
PF00105
C3_S1
50 -
(0)
20
22
/
8
/
2
15
22
M_NR1H3_LXRa
37
99%
0.585
PF00105
C3_S1
62 -
(0)
20
21
/
10
/
6
13
23
M_NR3B1_ERR1
25
98%
0.568
PF00105
C2_S1
32 -
(0)
16
3
/
19
/
3
9
24
M_NR5A1_STF1
16
99%
0.648
PF00105
C4_S1
28 -
(0)
14
13
/
3
/ -
9
25
M_NR5A2_LRH1
16
100%
0.801
PF00105
C2_S1
29 -
(0)
15
7
/
8
/
2
9
26
M_NR3B3_ERR3
24
100%
0.633
PF00105
C5_S1
45 -
(0)
15
2
/
20
/
2
8
27
M_NR3B2_ERR2
23
74%
0.639
PF00105
C5_S1
34 -
(0)
15
- /
17
/
6
8
28
M_NR1A1_THA
17
90%
0.523
PF00105
C1_S1
39 -
(0)
10
- /
17
/ -
7
29
M_NR1A2_THB
16
100%
0.555
PF00105
C2_S1
39 -
(0)
9
5
/
11
/ -
6
30
M_NR1I2_PXR
12
81%
0.633
PF00105
C1_S1
32 -
(0)
11
- /
6
/
6
6
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