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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01672005

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.73
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.72
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.71
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.82
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.75
8MOMETHOXSALENA,B,C,D1Z110.76
SYRSYRINGATEA,B1WB50.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.7
SXXSINAPINATEA,B1WB40.7
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid		A,B2ZK50.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.71
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
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.73
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,B3CLD0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.75
FOA2-FUROIC ACIDA,B2GF30.77
FOA2-FUROIC ACIDA,B,D2GAG0.77
FOA2-FUROIC ACIDA,B,C,D2GAH0.77
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.71
VXXVANILLATEA,B1WB60.74
ANN4-METHOXYBENZOIC ACIDA2B960.78
ANN4-METHOXYBENZOIC ACIDA2QUE0.78
ANN4-METHOXYBENZOIC ACIDA1SV30.78
ANN4-METHOXYBENZOIC ACIDA1O2E0.78
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.78
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.76
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.74
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID		A2EVC0.83
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.73
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		A2E140.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.8
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
BZFBENZOFURANA182L0.77
FU2FURFURALA,B,C,D1QXD0.74
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.77
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
EAAETHACRYNIC ACIDA,B3DGQ0.72
EAAETHACRYNIC ACIDA,B11GS0.72
EAAETHACRYNIC ACIDA,B,C,D1GSF0.72
EAAETHACRYNIC ACIDA,B2GSS0.72
EAAETHACRYNIC ACIDA,B3GSS0.72
EAAETHACRYNIC ACIDA,B1GSE0.72
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose		A2VGD0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.75