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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02159223

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
PXYPARA-XYLENEA187L0.7
PXYPARA-XYLENEA225L0.7
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.75
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.71
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
FPRPROPYLBENZENEC1RHK0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.8
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
I4BISOBUTYLBENZENEA184L0.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.74
BCSBENZYLCYSTEINEA1EH80.74
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.7
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.79
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
N4BN-BUTYLBENZENEA186L0.7