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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01290112

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.74
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.72
DMBA,B1SRI0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.83
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.72
HABA,B1SRE0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.7
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.72
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.71
4BB4-tert-butyl-N'-[(1E)-(3,5-dibromo-
2,4-dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP30.71
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.7
MTBA,B1SRF0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.76
3BE3-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DOZ0.73
IFAA,B3FC80.7
TTS3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-
6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
A,B2D1W0.71
3TY3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-
6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-
ALANINE
A1W5Z0.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.8
SHASALICYLHYDROXAMIC ACIDA2QPK0.8
SHASALICYLHYDROXAMIC ACIDA3FNL0.8
SHASALICYLHYDROXAMIC ACIDA3GCJ0.8
SHASALICYLHYDROXAMIC ACIDA1CK60.8
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
MHBA,B1SRG0.72
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.72
4BE4-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP20.72