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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02251519

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.81
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.72
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
A2PNU0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.85
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.85
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.78
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.73
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.7
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.73
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.77
SS11-PHENYLETHANOLH1UM50.78
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.73
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.89
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.78
EQUEQUILENINA,B1OGX0.77
EQUEQUILENINA,B,C,D,E,F1QJG0.77
EQUEQUILENINA,B1OH00.77
EQUEQUILENINA1W6Y0.77
EQUEQUILENINA,B1CQS0.77
EQUEQUILENINA1OGZ0.77
EQUEQUILENINA1GS30.77
EQUEQUILENINA1OHO0.77
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.79
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.74
ESLESTRIOLA1X8V0.79
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.85
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
B28A,B2E9A0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.79
1NP1-NAPHTHOLX2ZVQ0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.77
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.73
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.87
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
B08A,B2E990.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.72
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.72
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.82
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.85
ESTESTRADIOLA,B1GWR0.81
ESTESTRADIOLA1FDS0.81
ESTESTRADIOLA,B,C1G500.81
ESTESTRADIOLA,B,C,D,E,F1ERE0.81
ESTESTRADIOLA,B1A520.81
ESTESTRADIOLA1FDT0.81
ESTESTRADIOLA2OCF0.81
ESTESTRADIOLA,B,C1QKU0.81
ESTESTRADIOLA,B,C,D,L1E6W0.81
ESTESTRADIOLA1IOL0.81
ESTESTRADIOLH1JNN0.81
ESTESTRADIOLB1QKT0.81
ESTESTRADIOLA1FDW0.81
ESTESTRADIOLA,B1AQU0.81
ESTESTRADIOLA1LHU0.81
ESTESTRADIOLA1A270.81
ESTESTRADIOLL1JGL0.81
ESTESTRADIOLA,B,E,F1PCG0.81
ESTESTRADIOLA,B,C,D1FDU0.81
ESTESTRADIOLA2J7X0.81
ESTESTRADIOLA,B2D060.81
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.87
AN3ANTHRACENEA,B2HMN0.7
AN3ANTHRACENEA,B2HMM0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.87
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.87
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.87
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.87
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.77
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
ANFANTHRONEH2BJM0.82
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.74
PEYPHENANTHRENEA,B2HML0.7
PEYPHENANTHRENEA,B2HMK0.7