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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03377917

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
ANFANTHRONEH2BJM0.7
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.73
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.75
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.75
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
EQUEQUILENINA,B1OGX0.77
EQUEQUILENINA,B,C,D,E,F1QJG0.77
EQUEQUILENINA,B1OH00.77
EQUEQUILENINA1W6Y0.77
EQUEQUILENINA,B1CQS0.77
EQUEQUILENINA1OGZ0.77
EQUEQUILENINA1GS30.77
EQUEQUILENINA1OHO0.77
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.87
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
ESLESTRIOLA1X8V0.87
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.86
EQIEQUILINA,B1EQU0.77
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.8
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
ESTESTRADIOLA,B1GWR0.89
ESTESTRADIOLA1FDS0.89
ESTESTRADIOLA,B,C1G500.89
ESTESTRADIOLA,B,C,D,E,F1ERE0.89
ESTESTRADIOLA,B1A520.89
ESTESTRADIOLA1FDT0.89
ESTESTRADIOLA2OCF0.89
ESTESTRADIOLA,B,C1QKU0.89
ESTESTRADIOLA,B,C,D,L1E6W0.89
ESTESTRADIOLA1IOL0.89
ESTESTRADIOLH1JNN0.89
ESTESTRADIOLB1QKT0.89
ESTESTRADIOLA1FDW0.89
ESTESTRADIOLA,B1AQU0.89
ESTESTRADIOLA1LHU0.89
ESTESTRADIOLA1A270.89
ESTESTRADIOLL1JGL0.89
ESTESTRADIOLA,B,E,F1PCG0.89
ESTESTRADIOLA,B,C,D1FDU0.89
ESTESTRADIOLA2J7X0.89
ESTESTRADIOLA,B2D060.89
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE
A2GD80.71
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.73
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.8
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.8
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
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.79
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.86
ESOO3-PHOSPHONOESTRONEB,C1ESS0.73
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.87
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
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
A1HJ10.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.7
1NP1-NAPHTHOLX2ZVQ0.7
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.75