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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03194807

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFLA,B1Q4G0.71
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.83
3BZ3-chlorobenzoateX2QVZ0.78
3BZ3-chlorobenzoateX2QVX0.78
4FCA1YSG0.71
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.7
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
3CAA,B2B770.75
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
34Z3,4-dichlorobenzoateX2QVY0.76
34Z3,4-dichlorobenzoateX2QW00.76
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
1744-CHLORO-BENZOIC ACIDX3DLP0.79
1744-CHLORO-BENZOIC ACIDX1T5D0.79
FBCA,B2B9A0.7
BZQDIPHENYLMETHANONEA,B1GT50.75
BZQDIPHENYLMETHANONEA,B1DZP0.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.77
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
26CA,B2F7I0.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.71
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.85
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73