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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022990

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.74
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.8
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.73
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.73
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.74
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.73
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.83
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.74
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.74
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.72
ANN4-METHOXYBENZOIC ACIDA2B960.8
ANN4-METHOXYBENZOIC ACIDA2QUE0.8
ANN4-METHOXYBENZOIC ACIDA1SV30.8
ANN4-METHOXYBENZOIC ACIDA1O2E0.8
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.76
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.75
DIC3,4-DICHLOROISOCOUMARINA1DIC0.71
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
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
EAAETHACRYNIC ACIDA,B3DGQ0.77
EAAETHACRYNIC ACIDA,B11GS0.77
EAAETHACRYNIC ACIDA,B,C,D1GSF0.77
EAAETHACRYNIC ACIDA,B2GSS0.77
EAAETHACRYNIC ACIDA,B3GSS0.77
EAAETHACRYNIC ACIDA,B1GSE0.77
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.71
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.79
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.71