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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03448004

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2RBN'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-
4-methoxybenzohydrazide
A,B,C,D,E,F3DP10.73
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
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.71
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.72
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.72
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.74
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.88
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.88
SHASALICYLHYDROXAMIC ACIDX1V0H0.73
SHASALICYLHYDROXAMIC ACIDA2QPK0.73
SHASALICYLHYDROXAMIC ACIDA3FNL0.73
SHASALICYLHYDROXAMIC ACIDA3GCJ0.73
SHASALICYLHYDROXAMIC ACIDA1CK60.73
2BCN'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-
2-carbohydrazide
A,B,C,D,E,F3DP00.73
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.79
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.71
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.81
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.78
3XH3-Hydroxyhippuric acidA3E9K0.77
PH7(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-
2-PROPENOIC ACID
A1YVF0.72
4BB4-tert-butyl-N'-[(1E)-(3,5-dibromo-
2,4-dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP30.76
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.73
388(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-
5-CHLOROPHENOXY)ACETIC ACID
A2IKI0.7
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.78
2BE4-chloro-N'-[(1E)-(3,5-dibromo-
2,4-dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DOY0.74
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
A,B1NMS0.71
DBY3,5 DIBROMOTYROSINEC,D1EBA0.74
4BE4-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DP20.78
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.74
IFAA,B3FC80.75
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.72
3BE3-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DOZ0.78