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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00752430

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7912-PHENYLMALONIC ACIDA1O4P0.78
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.81
BZSL-BENZYLSUCCINIC ACIDA1HYT0.81
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.81
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.78
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
BFLA,B1Q4G0.82
4FCA1YSG0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.83
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.83
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.83
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.76
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.76
3PL3-PHENYLPROPANALE1Y3G0.7
1LPTRANYLCYPROMINEA,B1OJB0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.71
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
4BF4-BROMO-L-PHENYLALANINEA2AG60.7
26CA,B2F7I0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.83
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.81