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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02341252

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.75
I4BISOBUTYLBENZENEA184L0.77
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
BDBA,B1KE30.78
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
NPYNAPHTHALENEA,B1O7G0.78
AN3ANTHRACENEA,B2HMN0.75
AN3ANTHRACENEA,B2HMM0.75
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
N4BN-BUTYLBENZENEA186L0.75
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
PEYPHENANTHRENEA,B2HML0.75
PEYPHENANTHRENEA,B2HMK0.75
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.7
2HT3-methylbenzonitrileA,B3F880.79
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
DENINDENEA183L0.79