Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_XENOPE_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: [
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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
(All)
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
DHT - [nb=55] --> .....ALPHA-DIHYDROTESTOSTERONE
REA - [nb=50] --> RETINOIC ACID
4HY - [nb=25] --> .....IIODO-PHENYL]-ACETIC ACID
DEX - [nb=24] --> DEXAMETHASONE
STR - [nb=22] --> PROGESTERONE
T3 - [nb=21] --> 3,5,3'TRIIODOTHYRONINE
EST - [nb=19] --> ESTRADIOL
TES - [nb=16] --> TESTOSTERONE
1CA - [nb=16] --> DESOXYCORTICOSTERONE
198 - [nb=15] --> R-BICALUTAMIDE
PTG - [nb=15] --> .....,12,14-TETRAEN-1-OIC ACID
LRG - [nb=15] --> .....Y)-3-PHENYLPROPANOIC ACID
VCA - [nb=15] --> VACCENIC ACID
ET1 - [nb=14] --> .....INDOL-3-YL}PROPANOIC ACID
486 - [nb=13] --> .....PENTA[A]PHENANTHREN-3-ONE
IMN - [nb=12] --> INDOMETHACIN
OCR - [nb=11] --> .....5,8,11,13-TETRAENOIC ACID
AJA - [nb=11] --> .....HROMENE-9-CARBOXYLIC ACID
R18 - [nb=11] --> .....LESTRA-4,9,11-TRIEN-3-ONE
MOF - [nb=10] --> MOMETASONE FUROATE
BM6 - [nb=10] --> .....OXOLAN-2-YL]-BENZOIC ACID
T9T - [nb=8] --> TRIPHENYLSTANNANYL
471 - [nb=8] --> .....PHENYL}PROPYL)PROPANAMIDE
AS0 - [nb=8] --> .....-11-YL]BENZALDEHYDE OXIME
TBY - [nb=8] --> TRIBUTYLSTANNANYL
LG2 - [nb=8] --> .....YRIDINE-3-CARBOXYLIC ACID
F15 - [nb=8] --> PENTADECANOIC ACID
OR8 - [nb=8] --> .....1H-PYRAZOLE-4-SULFONAMIDE
IL2 - [nb=8] --> .....H)-YLIDENE]PENTANOIC ACID
PFA - [nb=8] --> .....ETHYL-PHENYL]-6-AZAURACIL
MLO - [nb=7] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
072 - [nb=7] --> .....PTYL-4-OXO-5-THIAZOLIDINE
KN1 - [nb=7] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
MYI - [nb=7] --> .....1H-INDOL-3-YL)ACETIC ACID
9HO - [nb=7] --> .....TADECA-10,12-DIENOIC ACID
YFD - [nb=6] --> AMORFRUTIN 2
FHM - [nb=6] --> .....METHYL)PHENYL]PROPANAMIDE
4HD - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
331 - [nb=6] --> .....OXY)-2-METHYLBUTYRIC ACID
3EA - [nb=6] --> .....]INDOL-1-YL}ETHANOIC ACID
TTB - [nb=6] --> .....)PROP-1-ENYL]BENZOIC ACID
YFE - [nb=6] --> AMORFRUTIN 1
5OX - [nb=6] --> .....,14,17,20-PENTAENOIC ACID
DY6 - [nb=6] --> .....RBONYL}AMINO)BENZOIC ACID
5BC - [nb=6] --> .....1H-INDOL-1-YL)ACETIC ACID
SNL - [nb=6] --> SPIRONOLACTONE
JZN - [nb=6] --> .....L]CARBONYL}-D-PROLINAMIDE
RO7 - [nb=6] --> .....OPHEN-7-YL}PROPANOIC ACID
UNT - [nb=6] --> .....IAZOL-2-YL)PROPANOIC ACID
K55 - [nb=6] --> .....THYL]BENZYL}BUTANOIC ACID
GW9 - [nb=6] --> .....5-NITRO-N-PHENYLBENZAMIDE
538 - [nb=6] --> .....IPHENYL-2-CARBOXYLIC ACID
3EQ - [nb=6] --> .....ALEN-1-YL)OXY]ACETIC ACID
Y1N - [nb=6] --> .....YL]PHENOXY]PROPANOIC ACID
3JX - [nb=6] --> .....IPHENYL-2-CARBOXYLIC ACID
5HE - [nb=6] --> .....,11,14,17-PENTAENOIC ACID
L41 - [nb=6] --> .....OPOXY]PHENOXY}ACETIC ACID
DRH - [nb=6] --> .....XY)-2-METHYLBUTANOIC ACID
401 - [nb=6] --> .....THOXYBENZYL}BUTANOIC ACID
XPT - [nb=6] --> .....AMBDA~4~-SULFANYL]PROPANE
S44 - [nb=6] --> .....THYL}BENZYL)BUTANOIC ACID
WY1 - [nb=6] --> .....2-YL}SULFANYL)ACETIC ACID
SF2 - [nb=6] --> .....-INDOLE-2-CARBOXYLIC ACID
F22 - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
SP3 - [nb=6] --> .....METHYL)BENZENESULFONAMIDE
3K2 - [nb=6] --> .....IPHENYL-2-CARBOXYLIC ACID
OCX - [nb=6] --> .....5,9,11,14-TETRAENOIC ACID
HIG - [nb=6] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
NDR - [nb=6] --> NORETHINDRONE
LNA - [nb=6] --> .....CTADECA-9,12-DIENOIC ACID
243 - [nb=6] --> .....CTADECA-9,11-DIENOIC ACID
66B - [nb=6] --> .....,15,18,21-PENTAENOIC ACID
AZ2 - [nb=6] --> .....OXY)PHENYL]PROPANOIC ACID
C08 - [nb=6] --> .....L-KAPPAN}PENTANOATO)BORON
JJA - [nb=6] --> .....YL]AMINO}METHYL)BENZAMIDE
Z27 - [nb=5] --> .....METHYL)BENZENESULFONAMIDE
CTM - [nb=5] --> .....L)-2-ETHOXYPROPANOIC ACID
SF1 - [nb=5] --> .....-INDOLE-2-CARBOXYLIC ACID
VDX - [nb=5] --> .....LENE-CYCLOHEXANE-1,3-DIOL
SRO - [nb=5] --> SEROTONIN
BIV - [nb=5] --> .....YLPENTYL)-, (1A,3B,5Z,7E)
OHT - [nb=5] --> 4-HYDROXYTAMOXIFEN
240 - [nb=5] --> .....YL}PHENOXY)PROPANOIC ACID
1FA - [nb=5] --> .....NDEN-4-YL)OXY]ACETIC ACID
XDH - [nb=5] --> .....YLBIS(2,6-DICHLOROPHENOL)
KN3 - [nb=5] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
21P - [nb=4] --> .....IOXOLAN-2-YL]BENZOIC ACID
I0G - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
NZA - [nb=4] --> .....-INDOLE-2-CARBOXYLIC ACID
JYH - [nb=4] --> .....RBONYL]AMINO}BENZOIC ACID
564 - [nb=4] --> .....HTALENE-2-CARBOXYLIC ACID
Z00 - [nb=4] --> .....L-2-YL)BENZENESULFONAMIDE
ORB - [nb=4] --> .....YLISOXAZOLE-4-SULFONAMIDE
HFT - [nb=4] --> HYDROXYFLUTAMIDE
IH5 - [nb=4] --> .....HENOXY]PHENYL}ACETIC ACID
T98 - [nb=4] --> .....1H-PYRROLE-2-CARBONITRILE
9RA - [nb=4] --> .....2-YL)ETHENYL]BENZOIC ACID
G24 - [nb=4] --> .....METHYLPHENOXY]ACETIC ACID
KN0 - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
K08 - [nb=4] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
30X - [nb=4] --> .....LUOROETHYL)-L-ALANINAMIDE
NOG - [nb=4] --> .....ETA-HYDROXYGON-4-EN-3-ONE
T44 - [nb=4] --> .....,5'-TETRAIODO-L-THYRONINE
AEJ - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
LUF - [nb=4] --> .....-5-HYDROXYFURAN-2(5H)-ONE
K09 - [nb=4] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
JYI - [nb=4] --> .....2-YL)ETHENYL]BENZOIC ACID
GW6 - [nb=4] --> .....17-YL FURAN-2-CARBOXYLATE
13M - [nb=4] --> .....THYL}BENZYL)BUTANOIC ACID
961 - [nb=4] --> .....ACETYLAMINO]-BENZOIC ACID
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
3TN - [nb=4] --> .....-2-YL)PHENYL]ACRYLIC ACID
GKK - [nb=4] --> .....BENZYL]AMINO}BENZONITRILE
EQN - [nb=4] --> .....RBONYL]AMINO}BENZOIC ACID
EQO - [nb=4] --> .....2-YL]ETHENYL}BENZOIC ACID
WLM - [nb=4] --> .....YL]PHENYL]ETHYL]BENZAMIDE
NRO - [nb=4] --> .....L)FURAN-2-YL]BENZOIC ACID
08S - [nb=4] --> .....ZOTHIOPHENE-2-CARBOXAMIDE
866 - [nb=4] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
1NY - [nb=4] --> .....RBONYL]AMINO}BENZOIC ACID
RHN - [nb=4] --> .....HRACENE-2-CARBOXYLIC ACID
GRR - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
SP0 - [nb=3] --> .....L-5-YL]BENZENESULFONAMIDE
GW5 - [nb=3] --> .....-ENYL]PHENYL}ACRYLIC ACID
D30 - [nb=3] --> .....ALEN-1-YL)OXY]ACETIC ACID
RAL - [nb=3] --> RALOXIFENE
Z12 - [nb=3] --> .....PHENYL]BENZENESULFONAMIDE
TLS - [nb=3] --> .....IPHENYL-2-CARBOXYLIC ACID
RRG - [nb=3] --> .....L-4-YL]OXY}PROPANOIC ACID
DRJ - [nb=3] --> .....XY)-2-METHYLBUTANOIC ACID
14R - [nb=3] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
YRG - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
CTI - [nb=3] --> .....,6-c]phenanthridin-12-ium
EK8 - [nb=3] --> .....POXYPHENYL]PROPANOIC ACID
AXY - [nb=3] --> .....YL-4-YLOXY)PROPANOIC ACID
2PQ - [nb=3] --> .....Y]-2-METHYLPROPANOIC ACID
AS4 - [nb=3] --> ALDOSTERONE
DRY - [nb=3] --> .....NDOL-5-YL)OXY]ACETIC ACID
208 - [nb=3] --> .....L)-2-ETHOXYPROPANOIC ACID
KRC - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
CEK - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
HID - [nb=3] --> .....1H-INDOL-3-YL)ACETIC ACID
GW4 - [nb=3] --> .....Y]PHENYL}PROPYL]ACETAMIDE
DRD - [nb=3] --> .....Y]-2-METHYLPROPANOIC ACID
4R8 - [nb=3] --> .....,13,16,19-PENTAENOIC ACID
C01 - [nb=3] --> .....ISOXAZOL-6-YL)OXY]ACETATE
24L - [nb=3] --> .....THALEN-2-YL}BUTANOIC ACID
NSI - [nb=3] --> .....]-1H-INDOLE-2-CARBOXAMIDE
M7S - [nb=3] --> .....HYL}PHENYL)PROPANOIC ACID
TEJ - [nb=3] --> .....,10,25(27)-TETRAEN-26-ONE
EK1 - [nb=3] --> .....HYL)PHENYL]PROPANOIC ACID
ZZH - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
3OZ - [nb=3] --> .....METHYLPHENOXY]ACETIC ACID
RO0 - [nb=3] --> .....-1-YL]METHYL}ISOQUINOLINE
XCX - [nb=3] --> .....Y)-2-METHYLPROPANOIC ACID
FCM - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
M0T - [nb=3] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
PLB - [nb=3] --> .....IDIN-2-YLOXY)BENZOIC ACID
EPA - [nb=3] --> .....,17-EICOSAPENTAENOIC ACID
6OB - [nb=3] --> .....CTADECA-8,12-DIENOIC ACID
GW0 - [nb=3] --> .....METHYLPHENOXY}ACETIC ACID
DKD - [nb=3] --> .....)-3-PHENYL-PROPANOIC ACID
ZXG - [nb=3] --> .....L]PHENYL HYDROGEN SULFATE
L92 - [nb=3] --> .....YRROL-1-YL)PROPANOIC ACID
6OC - [nb=3] --> .....CTADECA-9,12-DIENOIC ACID
ZAA - [nb=3] --> .....-TRIAZOL-4-YL)ACETIC ACID
M7R - [nb=3] --> .....HYL}PHENYL)PROPANOIC ACID
EHA - [nb=3] --> .....1H-INDOL-1-YL)ACETIC ACID
YFB - [nb=3] --> AMORFRUTIN B
GEN - [nb=3] --> GENISTEIN
J35 - [nb=3] --> .....HYL)BENZYL]PENTANOIC ACID
0W3 - [nb=3] --> .....-DIOXODOCOS-16-ENOIC ACID
XDI - [nb=3] --> .....IYLBIS(2,6-DIBROMOPHENOL)
241 - [nb=3] --> .....YL}PHENOXY)PROPANOIC ACID
21L - [nb=3] --> .....APHTHALEN-2-YL}PROPANOATE
17L - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
LGD - [nb=2] --> .....METHYL)QUINOLIN-2(1H)-ONE
LLB - [nb=2] --> .....L)ETHOXY]PHENYL}METHANONE
FMV - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
KNA - [nb=2] --> NONANOIC ACID
3B6 - [nb=2] --> .....DROXY-2-METHYLPROPANAMIDE
29V - [nb=2] --> .....ENE]OCTA-3,6-DIENOIC ACID
L79 - [nb=2] --> .....AN-2-YL]-2-PROPENOIC ACID
VD4 - [nb=2] --> .....OESTRA-5,7-DIENE-1,3-DIOL
HXA - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
754 - [nb=2] --> .....)OCTA-2,4,6-TRIENOIC ACID
R4M - [nb=2] --> .....ENE]OCTA-2,6-DIENOIC ACID
1GS - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
PIQ - [nb=2] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
B5R - [nb=2] --> .....DROXY-2-METHYLPROPANAMIDE
3SV - [nb=2] --> .....3,7-DIMETHYLOCTANOIC ACID
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
LLC - [nb=2] --> .....YLETHOXY)PHENYL]METHANONE
1GR - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
RLJ - [nb=2] --> .....DROXY-2-METHYLPROPANAMIDE
2S0 - [nb=2] --> .....HENANTHREN-17-YL] ACETATE
EES - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
EED - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
5TN - [nb=2] --> .....-2-YL)PHENYL]ACRYLIC ACID
15Q - [nb=2] --> .....METHYL]BIPHENYL-4,4'-DIOL
2VZ - [nb=2] --> .....)OCTA-2,4,6-TRIENOIC ACID
1O8 - [nb=2] --> .....LOCTA-2,4,6-TRIENOIC ACID
0CZ - [nb=2] --> .....PROPANE-2,2-DIYL)DIPHENOL
394 - [nb=2] --> .....ACETYLAMINO]-BENZOIC ACID
ZK5 - [nb=2] --> 9ALPHA-FLUOROCORTISOL
OBH - [nb=2] --> ......1]hept-5-ene-2-sulfonate
MCZ - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
2W0 - [nb=2] --> .....)OCTA-2,4,6-TRIENOIC ACID
BGV - [nb=2] --> .....[6,5-B]FURAN-4-YL ACETATE
1HP - [nb=2] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
A2K - [nb=2] --> .....PENTA[A]PHENANTHREN-3-ONE
8NH - [nb=2] --> .....-YL]-3-METHYLBENZONITRILE
1GV - [nb=2] --> .....5-DIYLBIS(3-METHYLPHENOL)
ESL - [nb=2] --> ESTRIOL
GOL - [nb=2] --> GLYCEROL
STL - [nb=2] --> RESVERATROL
CA9 - [nb=2] --> .....L-CYCLOHEX-4-ENE-1,3-DIOL
A48 - [nb=2] --> .....IFLUOROETHYL)AMINO]PHENOL
1GU - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
KN2 - [nb=2] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
2VP - [nb=2] --> .....)OCTA-2,4,6-TRIENOIC ACID
0VP - [nb=2] --> .....BIPHENYL-4-YL)PENTAN-3-OL
LSJ - [nb=2] --> .....PHENYL}METHANESULFONAMIDE
85Z - [nb=2] --> .....]PHENYL]PROP-2-ENOIC ACID
CA4 - [nb=2] --> CYPROTERONE ACETATE
LU2 - [nb=2] --> .....IHYDROXY-4H-CHROMEN-4-ONE
1GM - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
B68 - [nb=2] --> .....METHYL)PHENYL]PROPANAMIDE
254 - [nb=2] --> .....HTALENE-2-CARBOXYLIC ACID
C0R - [nb=2] --> CORTICOSTERONE
B67 - [nb=2] --> .....FLUOROPHENOXY)PROPANAMIDE
0L8 - [nb=2] --> .....DROXYMETHYL)BIPHENYL-4-OL
HFN - [nb=2] --> .....-1,4-benzoxazin-3(4H)-one
27E - [nb=2] --> CHLORDECONE
FSV - [nb=2] --> .....)ETHENYL]BENZENE-1,3-DIOL
B66 - [nb=2] --> .....FLUOROMETHYL)BENZONITRILE
29M - [nb=2] --> .....L-7-YL]METHANESULFONAMIDE
WFF - [nb=2] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
EZT - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
WFG - [nb=2] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
LX8 - [nb=2] --> .....-2-YL]PROPAN-2-YL ACETATE
OLA - [nb=2] --> OLEIC ACID
IOK - [nb=2] --> .....L-1H-INDOL-3-YL)ACETAMIDE
PK1 - [nb=2] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
ZTW - [nb=2] --> RALOXIFENE CORE
ESE - [nb=2] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
244 - [nb=2] --> .....ZOFURAN-7-YL]ACETONITRILE
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
735 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
RLL - [nb=2] --> .....DROXY-2-METHYLPROPANAMIDE
3RB - [nb=2] --> .....)OCTA-2,4,6-TRIENOIC ACID
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
ORC - [nb=2] --> .....YLISOXAZOLE-4-SULFONAMIDE
3E0 - [nb=2] --> .....3-thiazol-2-yl]morpholine
J2Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
HZ3 - [nb=2] --> .....5-DIENE-2,3-DICARBOXYLATE
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
JZS - [nb=2] --> .....1H-INDAZOL-1-YL)BENZAMIDE
MSZ - [nb=2] --> .....HYL)PHENOXY]ETHANOIC ACID
DIF - [nb=2] --> .....)AMINO]BENZENEACETIC ACID
2QO - [nb=2] --> .....YL-3-YL]PROP-2-ENOIC ACID
Q97 - [nb=2] --> .....T-1-ENE-1,2-DIYL]DIPHENOL
4OH - [nb=2] --> .....-TRIENE-3,15,16,17-TETROL
JJ3 - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
J3Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
2E3 - [nb=2] --> .....)PHENYL]PROP-2-ENOIC ACID
2VR - [nb=2] --> .....)OCTA-2,4,6-TRIENOIC ACID
ODE - [nb=2] --> .....T-5-ENE-2,3-DICARBOXYLATE
MEI - [nb=2] --> .....YLDODECA-2,4-DIENOIC ACID
4TN - [nb=2] --> .....YDROXYPHENYL]ACRYLIC ACID
LG7 - [nb=2] --> .....(3H)-YL]-1-NAPHTHONITRILE
1GJ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
EI1 - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
LD1 - [nb=2] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
RRH - [nb=2] --> .....L-4-YL]OXY}PROPANOIC ACID
BMS - [nb=2] --> .....ONYL)-AMINO]-BENZOIC ACID
184 - [nb=2] --> .....HTALENE-2-CARBOXYLIC ACID
EPH - [nb=2] --> .....-PHOSPHATIDYLETHANOLAMINE
JAD - [nb=2] --> .....-YL]-3-METHYLBENZONITRILE
DAY - [nb=2] --> .....L-1-YL]-2-HYDROXYETHANONE
LGB - [nb=2] --> .....INO}-3-METHYLBENZONITRILE
MMB - [nb=2] --> .....ROPOXYIMINO)BUTANOIC ACID
1GT - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
27H - [nb=2] --> FERUTININE
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
27J - [nb=2] --> ALPHA-ZEARALANOL
BHM - [nb=2] --> .....METHYL)PHENYL]PROPANAMIDE
3T2 - [nb=2] --> .....]OCTA-2,4,6-TRIENOIC ACID
DC8 - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
156 - [nb=2] --> .....L)-PROPENYL]-BENZOIC ACID
0VQ - [nb=2] --> .....METHYL)OCTA-3,5-DIEN-2-OL
NN7 - [nb=2] --> .....METHYL-BENZENESULFONAMIDE
WST - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-9-OL
196 - [nb=2] --> .....-HYDROXY-1-NAPHTHONITRILE
P26 - [nb=2] --> .....IOXOLAN-2-YL]BENZOIC ACID
EB1 - [nb=1] --> SEOCALCITOL
6DS - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
G72 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
TEY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
OCC - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
EIM - [nb=1] --> .....DENE-CYCLOHEXANE-1,3-DIOL
H97 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
ET0 - [nb=1] --> .....INDOL-3-YL)PROPANOIC ACID
3EV - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
C5D - [nb=1] --> .....DENE]CYCLOHEXANE-1,3-DIOL
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
10R - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
23R - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
RB1 - [nb=1] --> .....IMIDIN-3-YL)METHYL]PHENOL
KH1 - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
NEQ - [nb=1] --> N-ETHYLMALEIMIDE
WOW - [nb=1] --> .....N-3-YL]AMINO}BENZONITRILE
YS3 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
VHW - [nb=1] --> .....LATE (NON-PREFERRED NAME)
2MV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
VD5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
ED9 - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
10S - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
369 - [nb=1] --> .....)-7-METHYLNAPHTHALEN-2-OL
MYR - [nb=1] --> MYRISTIC ACID
0VO - [nb=1] --> .....3-ETHYLNONA-4,6-DIEN-3-OL
0VK - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
056 - [nb=1] --> .....LFANYLMETHYL]BENZOIC ACID
MVD - [nb=1] --> .....A,25-DIHYDROXY-VITAMIN D3
YS5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
ZYD - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
1GQ - [nb=1] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
XE4 - [nb=1] --> .....]ETHYLIDENE]-, (1R,3S,5Z)
C33 - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
2KB - [nb=1] --> .....en-2-yl]oxy}butanenitrile
4OA - [nb=1] --> .....HYDROXYCHOLAN-24-OIC ACID
458 - [nb=1] --> ......3.1]NON-7-EN-2-YL]PHENOL
36J - [nb=1] --> .....zoxacyclotetradecin-1-one
3AJ - [nb=1] --> .....)CYCLOPROPANECARBONITRILE
C3D - [nb=1] --> .....TETRAHYDRONAPHTHALEN-2-OL
0CO - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
E4D - [nb=1] --> .....ENZO[B][1,4]OXATHIIN-6-OL
0S4 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
IOG - [nb=1] --> .....)-1H-INDOL-3-YL]ACETAMIDE
17M - [nb=1] --> .....17-ALPHA-DIHYDROEQUILENIN
TX5 - [nb=1] --> .....DENE)CYCLOHEXANE-1,3-DIOL
EEU - [nb=1] --> .....RIDINIUM TETRAACETIC ACID
484 - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
DS2 - [nb=1] --> .....METHYLPHENOXY}ACETIC ACID
DS4 - [nb=1] --> .....BIPHENYL-4-YL]ACETIC ACID
ENM - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
AIH - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
DS5 - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
DS6 - [nb=1] --> .....HYLPHENOXY]PENTANOIC ACID
CM4 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
MC9 - [nb=1] --> CALCIPOTRIOL
ZNE - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
O1C - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
C3O - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
DS3 - [nb=1] --> .....HYLPHENOXY}PENTANOIC ACID
0U3 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
L4G - [nb=1] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
17H - [nb=1] --> .....PREGNA-4,9,11-TRIEN-3-ONE
VDZ - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
CM3 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
K10 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
PK0 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
AIJ - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
VDA - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
TFY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
VDB - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
AIT - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
36M - [nb=1] --> propyl 4-hydroxybenzoate
YSD - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
COV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
AIU - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
X_NR1A1_THAA
16
95%
0.557
PF00105
C2_S1
39 -
(0)
9
4
/
12
/ -
6
2
X_NR1A1_THAB
16
95%
0.557
PF00105
C4_S1
39 -
(0)
9
4
/
12
/ -
6
3
X_NR1A2_THBA
16
98%
0.562
PF00105
C3_S1
38 -
(0)
9
5
/
11
/ -
6
4
X_NR1A2_THBB
16
97%
0.554
PF00105
C3_S1
39 -
(0)
9
5
/
11
/ -
6
5
X_NR1B1_RARA
32
92%
0.566
PF00105
C4_S1
50 -
(0)
20
22
/
8
/
2
15
6
X_NR1B3_RARG
32
93%
0.827
PF00105
C4_S1
50 -
(0)
20
23
/
8
/
1
15
7
X_NR1C1_PPARA
205
89%
0.812
PF00105
C5_S1
256 -
(0)
20
23
/
95
/
87
74
8
X_NR1C2_PPARD
198
70%
0.524
PF00105
C4_S1
251 -
(0)
20
23
/
101
/
71
72
9
X_NR1C3_PPARG
187
85%
0.443
PF00105
C5_S1
235 -
(0)
20
2
/
59
/
122
69
10
X_NR1I1_VDR
73
82%
0.552
PF00105
C4_S1
88 -
(0)
20
70
/
3
/ -
55
11
X_NR2B1_RXRA
76
97%
0.655
PF00105
C4_S1
92 -
(0)
20
21
/
38
/
10
31
12
X_NR2B3_RXRG
74
95%
0.557
PF00105
C5_S1
93 -
(0)
20
21
/
38
/
11
31
13
X_NR3A1_ESR1
187
83%
0.607
PF00105
C3_S1
208 -
(0)
20
26
/
128
/
31
79
14
X_NR3C1_GCR
159
77%
0.584
PF00105
C5_S1
201 -
(0)
20
15
/
125
/
19
33
15
X_NR3C2_MCR
164
84%
0.625
PF00105
C4_S1
200 -
(0)
20
9
/
124
/
32
33
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