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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02360105

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.75
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
BCSBENZYLCYSTEINEA,B,G,H10GS0.82
BCSBENZYLCYSTEINEA1EH80.82
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.8
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.8
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.8
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
PMSBENZYLSULFINIC ACIDB1PNM0.76
PMSBENZYLSULFINIC ACIDA,B1SH70.76
PMSBENZYLSULFINIC ACIDB,C1BB00.76
PMSBENZYLSULFINIC ACIDA,B1S2N0.76
PMSBENZYLSULFINIC ACIDA,B1WB80.76
PMSBENZYLSULFINIC ACIDA,B,C3CE40.76
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.76
PMSBENZYLSULFINIC ACIDA3H180.76
PMSBENZYLSULFINIC ACIDA3H170.76
PMSBENZYLSULFINIC ACIDA2CBG0.76
PMSBENZYLSULFINIC ACIDA1SUP0.76
PMSBENZYLSULFINIC ACIDA,B1V6C0.76
PMSBENZYLSULFINIC ACIDA,B1WPR0.76
PMSBENZYLSULFINIC ACIDA,B1EQ90.76
PMSBENZYLSULFINIC ACIDA,B1AUR0.76
PMSBENZYLSULFINIC ACIDA1KLT0.76
PMSBENZYLSULFINIC ACIDB,C1CA80.76
PMSBENZYLSULFINIC ACIDA2GKO0.76
PMSBENZYLSULFINIC ACIDB,C,D1BA80.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.74
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
FPRPROPYLBENZENEC1RHK0.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.77
HCIHYDROCINNAMIC ACIDA,B1TOG0.77
HCIHYDROCINNAMIC ACIDA,B1V2F0.77
HCIHYDROCINNAMIC ACIDA,B1AHX0.77
HCIHYDROCINNAMIC ACIDA1TOI0.77
HCIHYDROCINNAMIC ACIDA,B1AY80.77
HCIHYDROCINNAMIC ACIDA1TOJ0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.8
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.79
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.79
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.79
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.79
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.74
PAC2-PHENYLACETIC ACIDB1PNL0.74
PAC2-PHENYLACETIC ACIDB1K5Q0.74
PAC2-PHENYLACETIC ACIDB1FXH0.74
PAC2-PHENYLACETIC ACIDA2ISF0.74
PAC2-PHENYLACETIC ACIDA2INE0.74
N4BN-BUTYLBENZENEA186L0.72
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
BDBA,B1KE30.71
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.81
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.8