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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02408046

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
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
ANFANTHRONEH2BJM0.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
EQIEQUILINA,B1EQU0.89
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
1666-CARBAMIMIDOYL-2-[2-HYDROXY-6-
(4-HYDROXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ10.74
AOEN-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-
3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-
DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-
7-YL]-N-METHYLUNDECANAMIDE
A1HJ10.79
ESLESTRIOLA1X8V0.8
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.76
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.73
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.7
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.75
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.7
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.73
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
ESOO3-PHOSPHONOESTRONEB,C1ESS0.83
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.8
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.8
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.75
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.8
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.76
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.72
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
A2PNU0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.82
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.78
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.71
ESTESTRADIOLA,B1GWR0.82
ESTESTRADIOLA1FDS0.82
ESTESTRADIOLA,B,C1G500.82
ESTESTRADIOLA,B,C,D,E,F1ERE0.82
ESTESTRADIOLA,B1A520.82
ESTESTRADIOLA1FDT0.82
ESTESTRADIOLA2OCF0.82
ESTESTRADIOLA,B,C1QKU0.82
ESTESTRADIOLA,B,C,D,L1E6W0.82
ESTESTRADIOLA1IOL0.82
ESTESTRADIOLH1JNN0.82
ESTESTRADIOLB1QKT0.82
ESTESTRADIOLA1FDW0.82
ESTESTRADIOLA,B1AQU0.82
ESTESTRADIOLA1LHU0.82
ESTESTRADIOLA1A270.82
ESTESTRADIOLL1JGL0.82
ESTESTRADIOLA,B,E,F1PCG0.82
ESTESTRADIOLA,B,C,D1FDU0.82
ESTESTRADIOLA2J7X0.82
ESTESTRADIOLA,B2D060.82
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.77
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.8
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.8
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.85
1NP1-NAPHTHOLX2ZVQ0.7
EQUEQUILENINA,B1OGX0.88
EQUEQUILENINA,B,C,D,E,F1QJG0.88
EQUEQUILENINA,B1OH00.88
EQUEQUILENINA1W6Y0.88
EQUEQUILENINA,B1CQS0.88
EQUEQUILENINA1OGZ0.88
EQUEQUILENINA1GS30.88
EQUEQUILENINA1OHO0.88
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.72