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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00433398

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AC01-PHENYLETHANONEA1ZK10.7
AC01-PHENYLETHANONEA1ZK40.7
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.86
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.84
4PH4-methyl-L-phenylalanineB,C3BV90.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.74
BFLA,B1Q4G0.8
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.73
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.73
3PL3-PHENYLPROPANALE1Y3G0.73
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.81
1LPTRANYLCYPROMINEA,B1OJB0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.74
7912-PHENYLMALONIC ACIDA1O4P0.8
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7