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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02443041

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AC01-PHENYLETHANONEA1ZK10.78
AC01-PHENYLETHANONEA1ZK40.78
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.79
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
VK3MENADIONEA1TUV0.71
VK3MENADIONEA,B2QR20.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.71
FPRPROPYLBENZENEC1RHK0.72
GB4(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2IMA0.76
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.71
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.75
N4BN-BUTYLBENZENEA186L0.72
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.7
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72