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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01072370

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.87
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.81
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.84
2612-ethoxyphenolX2RB10.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.74
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.77
2682-phenoxyethanolA2RBR0.72
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.71
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.71
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
A2E140.73
ANN4-METHOXYBENZOIC ACIDA2B960.78
ANN4-METHOXYBENZOIC ACIDA2QUE0.78
ANN4-METHOXYBENZOIC ACIDA1SV30.78
ANN4-METHOXYBENZOIC ACIDA1O2E0.78
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.78
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.7
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.73
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.81
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.82
BZFBENZOFURANA182L0.7
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2BT40.74
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
8MOMETHOXSALENA,B,C,D1Z110.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
VXXVANILLATEA,B1WB60.76
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.74
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.7
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.7
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.76
EAAETHACRYNIC ACIDA,B3DGQ0.7
EAAETHACRYNIC ACIDA,B11GS0.7
EAAETHACRYNIC ACIDA,B,C,D1GSF0.7
EAAETHACRYNIC ACIDA,B2GSS0.7
EAAETHACRYNIC ACIDA,B3GSS0.7
EAAETHACRYNIC ACIDA,B1GSE0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.72
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.72
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.79
FU2FURFURALA,B,C,D1QXD0.77
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.7
SYRSYRINGATEA,B1WB50.73
FOA2-FUROIC ACIDA,B2GF30.88
FOA2-FUROIC ACIDA,B,D2GAG0.88
FOA2-FUROIC ACIDA,B,C,D2GAH0.88