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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00847212

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.77
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.74
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.74
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.74
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
BCSBENZYLCYSTEINEA,B,G,H10GS0.79
BCSBENZYLCYSTEINEA1EH80.79
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.74
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.79
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.75
SEBO-BENZYLSULFONYL-SERINEA1IAV0.75
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.75
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.75
SEBO-BENZYLSULFONYL-SERINEA1C9N0.75
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.75
SEBO-BENZYLSULFONYL-SERINEA1GGV0.75
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.75
SEBO-BENZYLSULFONYL-SERINEA1PQA0.75
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.75
SEBO-BENZYLSULFONYL-SERINEA1C9M0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.7
TSUPARA-TOLUENE SULFONATEA1B0D0.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
PMSBENZYLSULFINIC ACIDB1PNM0.75
PMSBENZYLSULFINIC ACIDA,B1SH70.75
PMSBENZYLSULFINIC ACIDB,C1BB00.75
PMSBENZYLSULFINIC ACIDA,B1S2N0.75
PMSBENZYLSULFINIC ACIDA,B1WB80.75
PMSBENZYLSULFINIC ACIDA,B,C3CE40.75
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.75
PMSBENZYLSULFINIC ACIDA3H180.75
PMSBENZYLSULFINIC ACIDA3H170.75
PMSBENZYLSULFINIC ACIDA2CBG0.75
PMSBENZYLSULFINIC ACIDA1SUP0.75
PMSBENZYLSULFINIC ACIDA,B1V6C0.75
PMSBENZYLSULFINIC ACIDA,B1WPR0.75
PMSBENZYLSULFINIC ACIDA,B1EQ90.75
PMSBENZYLSULFINIC ACIDA,B1AUR0.75
PMSBENZYLSULFINIC ACIDA1KLT0.75
PMSBENZYLSULFINIC ACIDB,C1CA80.75
PMSBENZYLSULFINIC ACIDA2GKO0.75
PMSBENZYLSULFINIC ACIDB,C,D1BA80.75