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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00501594

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.81
FDSFLUORESCINH4FAB0.71
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.82
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.74
6944-BROMO-3-(CARBOXYMETHOXY)-5-(4-
HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
A2H4G0.74
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.72
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.72
SYRSYRINGATEA,B1WB50.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.74
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione
A,B3C9W0.7
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.85
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
8MOMETHOXSALENA,B,C,D1Z110.79
5094-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-
2-CARBOXYLIC ACID
A2H4K0.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.73
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.74
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.71
VXXVANILLATEA,B1WB60.74
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.8
MOAMYCOPHENOLIC ACIDA1ME70.7
MOAMYCOPHENOLIC ACIDA,B1JR10.7
MOAMYCOPHENOLIC ACIDA1MEI0.7
MOAMYCOPHENOLIC ACIDA1MEH0.7
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
GW6(6alpha,11alpha,14beta,16alpha,17alpha)-
6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-
11-hydroxy-16-methyl-3-oxoandrosta-
1,4-dien-17-yl furan-2-carboxylate
A,B3CLD0.75
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.8
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.83
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.77
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.79
AI73-(heptyloxy)benzoic acidA,B2O3Z0.73
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.7
C954-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
A,C2UZE0.71
BZFBENZOFURANA182L0.75
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.76
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.7
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.77
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.71
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.77
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.77
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.77
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.71