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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01117238

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.74
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.75
DMBA,B1SRI0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.86
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.72
MTBA,B1SRF0.72
4BB4-tert-butyl-N'-[(1E)-(3,5-dibromo-
2,4-dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP30.72
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.81
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.78
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
MHBA,B1SRG0.71
3BE3-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DOZ0.71
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
SHASALICYLHYDROXAMIC ACIDX1V0H0.82
SHASALICYLHYDROXAMIC ACIDA2QPK0.82
SHASALICYLHYDROXAMIC ACIDA3FNL0.82
SHASALICYLHYDROXAMIC ACIDA3GCJ0.82
SHASALICYLHYDROXAMIC ACIDA1CK60.82
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.7
3MB3-METHOXYBENZAMIDEA3PAX0.7
142CARBIDOPAA,B1JS30.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.7
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
4BE4-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP20.7
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.74
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.74
IFAA,B3FC80.75
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.76
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.77
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.71