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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003954

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
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.74
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.78
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
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
HCIHYDROCINNAMIC ACIDA,B1BXG0.74
HCIHYDROCINNAMIC ACIDA,B1TOG0.74
HCIHYDROCINNAMIC ACIDA,B1V2F0.74
HCIHYDROCINNAMIC ACIDA,B1AHX0.74
HCIHYDROCINNAMIC ACIDA1TOI0.74
HCIHYDROCINNAMIC ACIDA,B1AY80.74
HCIHYDROCINNAMIC ACIDA1TOJ0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.73
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.73
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.79
BCSBENZYLCYSTEINEA,B,G,H10GS0.81
BCSBENZYLCYSTEINEA1EH80.81
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.8
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.76
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.76
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.8
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
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
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72