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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02269778

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
7912-PHENYLMALONIC ACIDA1O4P0.77
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.82
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.82
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.78
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.75
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.81
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.75
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.8
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.81
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.76
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.76
BFLA,B1Q4G0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.73
BZSL-BENZYLSUCCINIC ACIDA1HYT0.73
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71