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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02133450

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
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.77
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
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.7
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.8
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.79
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.72
B08A,B2E990.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.8
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.77
SS2(1R)-1-PHENYLETHANOLA1ZK00.88
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.88
SS2(1R)-1-PHENYLETHANOLA1ZJY0.88
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.79
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.78
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.78
ESLESTRIOLA1X8V0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.81
SMN(S)-MANDELIC ACIDA1MDL0.74
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.78
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.78
ANFANTHRONEH2BJM0.75
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.7
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,D1Y0G0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.79
PEL2-PHENYL-ETHANOLD,H2I0T0.79
PEL2-PHENYL-ETHANOLA,B1HZY0.79
PEL2-PHENYL-ETHANOLA,B1I0B0.79
PEL2-PHENYL-ETHANOLA1EYW0.79
PEL2-PHENYL-ETHANOLA,B1JGM0.79
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.78
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.78
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.78
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
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.75
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.76
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.83
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.79
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.72
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
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
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.72
ESTESTRADIOLA,B1GWR0.73
ESTESTRADIOLA1FDS0.73
ESTESTRADIOLA,B,C1G500.73
ESTESTRADIOLA,B,C,D,E,F1ERE0.73
ESTESTRADIOLA,B1A520.73
ESTESTRADIOLA1FDT0.73
ESTESTRADIOLA2OCF0.73
ESTESTRADIOLA,B,C1QKU0.73
ESTESTRADIOLA,B,C,D,L1E6W0.73
ESTESTRADIOLA1IOL0.73
ESTESTRADIOLH1JNN0.73
ESTESTRADIOLB1QKT0.73
ESTESTRADIOLA1FDW0.73
ESTESTRADIOLA,B1AQU0.73
ESTESTRADIOLA1LHU0.73
ESTESTRADIOLA1A270.73
ESTESTRADIOLL1JGL0.73
ESTESTRADIOLA,B,E,F1PCG0.73
ESTESTRADIOLA,B,C,D1FDU0.73
ESTESTRADIOLA2J7X0.73
ESTESTRADIOLA,B2D060.73
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.75
MNN(S)-MANDELIC ACID NITRILEA1YB60.8
2NAnaphthalen-2-ylmethanolA,B,C3EE50.87
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
341(3,5-difluorophenyl)methanolC3EON0.83
2LP2-ALLYLPHENOLA1OV50.75
SS11-PHENYLETHANOLH1UM50.88
FBCA,B2B9A0.77
FLPFLURBIPROFENA,B,C,D3PGH0.76
FLPFLURBIPROFENA,B1CQE0.76
FLPFLURBIPROFENA,B1EQH0.76
FLPFLURBIPROFENA,B2AYL0.76
FLPFLURBIPROFENA1DVT0.76
FLPFLURBIPROFENA1R9O0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.84
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.84
4FCA1YSG0.78
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.83
1NP1-NAPHTHOLX2ZVQ0.75
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.77
LJ33,5-dibromobiphenyl-4-olA,B3CN20.72
BFLA,B1Q4G0.73
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.74
ETY4-ethylphenolA,B,C,D2RA60.75
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
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.86
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.76
OBZO-benzylhydroxylamineA,B3DTH0.74
OBZO-benzylhydroxylamineA,B3DTG0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.76
26CA,B2F7I0.77
RSOR-STYRENE OXIDEA,B1PWZ0.76
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.75
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.75