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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00624456

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.71
8MOMETHOXSALENA,B,C,D1Z110.71
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.79
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.73
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.73
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.77
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.8
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.71
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.79
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.72
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.77
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.73
3CAA,B2B770.71
MFM(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-
2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-
3-YL)PROPANOIC ACID
A,B1ZXV0.7
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.74
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.73
EAAETHACRYNIC ACIDA,B3DGQ0.74
EAAETHACRYNIC ACIDA,B11GS0.74
EAAETHACRYNIC ACIDA,B,C,D1GSF0.74
EAAETHACRYNIC ACIDA,B2GSS0.74
EAAETHACRYNIC ACIDA,B3GSS0.74
EAAETHACRYNIC ACIDA,B1GSE0.74
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.7
BZFBENZOFURANA182L0.77
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.73
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.71
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.71
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.7
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.77
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.76
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.71
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.81
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.76
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.7