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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02283196

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
ANFANTHRONEH2BJM0.7
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.73
2MP3,4-DIMETHYLPHENOLA1L5O0.77
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.71
ETY4-ethylphenolA,B,C,D2RA60.76
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.77
2C72-(cycloheptylmethyl)-1,1-dioxido-
1-benzothiophen-6-yl sulfamate
A3DD80.71
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.73
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.73
HTS2-MERCAPTOPHENOLA2OSM0.72
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.71
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.77
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
ESTESTRADIOLA,B1GWR0.74
ESTESTRADIOLA1FDS0.74
ESTESTRADIOLA,B,C1G500.74
ESTESTRADIOLA,B,C,D,E,F1ERE0.74
ESTESTRADIOLA,B1A520.74
ESTESTRADIOLA1FDT0.74
ESTESTRADIOLA2OCF0.74
ESTESTRADIOLA,B,C1QKU0.74
ESTESTRADIOLA,B,C,D,L1E6W0.74
ESTESTRADIOLA1IOL0.74
ESTESTRADIOLH1JNN0.74
ESTESTRADIOLB1QKT0.74
ESTESTRADIOLA1FDW0.74
ESTESTRADIOLA,B1AQU0.74
ESTESTRADIOLA1LHU0.74
ESTESTRADIOLA1A270.74
ESTESTRADIOLL1JGL0.74
ESTESTRADIOLA,B,E,F1PCG0.74
ESTESTRADIOLA,B,C,D1FDU0.74
ESTESTRADIOLA2J7X0.74
ESTESTRADIOLA,B2D060.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.77
EQIEQUILINA,B1EQU0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.91
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.83
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
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
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
2LP2-ALLYLPHENOLA1OV50.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.81
DESDIETHYLSTILBESTROLA,B3ERD0.81
DESDIETHYLSTILBESTROLA,B1TT60.81
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.81
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.75
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.85
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.85
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
ESLESTRIOLA1X8V0.73
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.79
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.73
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
1NP1-NAPHTHOLX2ZVQ0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.84
ZTWRALOXIFENE COREA,B1GWQ0.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.83
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.75
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.71
OBPA,B2DE30.79
EQUEQUILENINA,B1OGX0.71
EQUEQUILENINA,B,C,D,E,F1QJG0.71
EQUEQUILENINA,B1OH00.71
EQUEQUILENINA1W6Y0.71
EQUEQUILENINA,B1CQS0.71
EQUEQUILENINA1OGZ0.71
EQUEQUILENINA1GS30.71
EQUEQUILENINA1OHO0.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.7