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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213299

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.75
HCIHYDROCINNAMIC ACIDA,B1TOG0.75
HCIHYDROCINNAMIC ACIDA,B1V2F0.75
HCIHYDROCINNAMIC ACIDA,B1AHX0.75
HCIHYDROCINNAMIC ACIDA1TOI0.75
HCIHYDROCINNAMIC ACIDA,B1AY80.75
HCIHYDROCINNAMIC ACIDA1TOJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.78
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.74
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.74
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.74
7912-PHENYLMALONIC ACIDA1O4P0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.8
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.8
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.75
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.73
BZSL-BENZYLSUCCINIC ACIDA1HYT0.73
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.73
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
BFLA,B1Q4G0.72
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72