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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010705

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.77
MBNTOLUENEA,B3D7O0.77
MBNTOLUENEA,B1R1X0.77
MBNTOLUENEA,B1JLX0.77
MBNTOLUENEA,B,C,D3D170.77
MBNTOLUENEA,B2VRL0.77
MBNTOLUENEA,I2Z3E0.77
MBNTOLUENEA,B1YZI0.77
MBNTOLUENEA,B2DN10.77
MBNTOLUENEA,B3EN10.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
HBXbenzaldehydeA,B3GDN0.76
I4BISOBUTYLBENZENEA184L0.75
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
N4BN-BUTYLBENZENEA186L0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.73
BDBA,B1KE30.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.78
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.78
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.78
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
3PL3-PHENYLPROPANALE1Y3G0.74
GB4(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2IMA0.7