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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325670

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
ESTESTRADIOLA,B1GWR0.72
ESTESTRADIOLA1FDS0.72
ESTESTRADIOLA,B,C1G500.72
ESTESTRADIOLA,B,C,D,E,F1ERE0.72
ESTESTRADIOLA,B1A520.72
ESTESTRADIOLA1FDT0.72
ESTESTRADIOLA2OCF0.72
ESTESTRADIOLA,B,C1QKU0.72
ESTESTRADIOLA,B,C,D,L1E6W0.72
ESTESTRADIOLA1IOL0.72
ESTESTRADIOLH1JNN0.72
ESTESTRADIOLB1QKT0.72
ESTESTRADIOLA1FDW0.72
ESTESTRADIOLA,B1AQU0.72
ESTESTRADIOLA1LHU0.72
ESTESTRADIOLA1A270.72
ESTESTRADIOLL1JGL0.72
ESTESTRADIOLA,B,E,F1PCG0.72
ESTESTRADIOLA,B,C,D1FDU0.72
ESTESTRADIOLA2J7X0.72
ESTESTRADIOLA,B2D060.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
ANFANTHRONEH2BJM0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.81
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.81
ZTWRALOXIFENE COREA,B1GWQ0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.7
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.7
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.74
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.91
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.74
2LP2-ALLYLPHENOLA1OV50.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.73
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.79
DESDIETHYLSTILBESTROLA,B3ERD0.79
DESDIETHYLSTILBESTROLA,B1TT60.79
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.79
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
ETY4-ethylphenolA,B,C,D2RA60.73
1NP1-NAPHTHOLX2ZVQ0.72
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.75
OBPA,B2DE30.79
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8