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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03325025

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
TLD4-methylbenzene-1,2-dithiolA2Z940.73
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
FPRPROPYLBENZENEC1RHK0.77
I4BISOBUTYLBENZENEA184L0.75
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.73
2HT3-methylbenzonitrileA,B3F880.79
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.73
N4BN-BUTYLBENZENEA186L0.77
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.79
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73