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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02404702

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.73
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
B08A,B2E990.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
ETY4-ethylphenolA,B,C,D2RA60.71
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
BPYBIPHENYL-2,3-DIOLA1KMY0.77
BPYBIPHENYL-2,3-DIOLB1KW80.77
BPYBIPHENYL-2,3-DIOLA2EI30.77
BPYBIPHENYL-2,3-DIOLA1EIR0.77
BPYBIPHENYL-2,3-DIOLB1KW60.77
BPYBIPHENYL-2,3-DIOLB1KWC0.77
BPYBIPHENYL-2,3-DIOLB1KW90.77
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.74
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
B76A,B2E9D0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.82
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.7
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
ANFANTHRONEH2BJM0.72
ESOO3-PHOSPHONOESTRONEB,C1ESS0.79
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.7
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.73
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.76
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
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
2MP3,4-DIMETHYLPHENOLA1L5O0.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
EQIEQUILINA,B1EQU0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
EQUEQUILENINA,B1OGX0.7
EQUEQUILENINA,B,C,D,E,F1QJG0.7
EQUEQUILENINA,B1OH00.7
EQUEQUILENINA1W6Y0.7
EQUEQUILENINA,B1CQS0.7
EQUEQUILENINA1OGZ0.7
EQUEQUILENINA1GS30.7
EQUEQUILENINA1OHO0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.82
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.82
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.82
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
2LP2-ALLYLPHENOLA1OV50.73
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,D1Y0G0.76
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
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.72
ESLESTRIOLA1X8V0.73
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.73
1NP1-NAPHTHOLX2ZVQ0.75
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.7
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.75
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
B28A,B2E9A0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.77
MBD3-METHYLCATECHOLA1KNF0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.83
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8