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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02480054

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
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.74
2MP3,4-DIMETHYLPHENOLA1L5O0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.75
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
A1HJ10.76
ANFANTHRONEH2BJM0.72
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
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
A2J7Y0.81
ESLESTRIOLA1X8V0.81
EQIEQUILINA,B1EQU0.77
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.8
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.79
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.75
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
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.8
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
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.75
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
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
ESTESTRADIOLA,B1GWR0.83
ESTESTRADIOLA1FDS0.83
ESTESTRADIOLA,B,C1G500.83
ESTESTRADIOLA,B,C,D,E,F1ERE0.83
ESTESTRADIOLA,B1A520.83
ESTESTRADIOLA1FDT0.83
ESTESTRADIOLA2OCF0.83
ESTESTRADIOLA,B,C1QKU0.83
ESTESTRADIOLA,B,C,D,L1E6W0.83
ESTESTRADIOLA1IOL0.83
ESTESTRADIOLH1JNN0.83
ESTESTRADIOLB1QKT0.83
ESTESTRADIOLA1FDW0.83
ESTESTRADIOLA,B1AQU0.83
ESTESTRADIOLA1LHU0.83
ESTESTRADIOLA1A270.83
ESTESTRADIOLL1JGL0.83
ESTESTRADIOLA,B,E,F1PCG0.83
ESTESTRADIOLA,B,C,D1FDU0.83
ESTESTRADIOLA2J7X0.83
ESTESTRADIOLA,B2D060.83
ESOO3-PHOSPHONOESTRONEB,C1ESS0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
1NP1-NAPHTHOLX2ZVQ0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.81
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71