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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02817073

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3BZ3-chlorobenzoateX2QVZ0.78
3BZ3-chlorobenzoateX2QVX0.78
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.88
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.7
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.88
34Z3,4-dichlorobenzoateX2QVY0.76
34Z3,4-dichlorobenzoateX2QW00.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
1744-CHLORO-BENZOIC ACIDX3DLP0.79
1744-CHLORO-BENZOIC ACIDX1T5D0.79
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
CS4S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-
L-CYSTEINE
A2OQZ0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.76
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.91
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
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.84
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.75