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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02440031

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
I4BISOBUTYLBENZENEA184L0.77
FPRPROPYLBENZENEC1RHK0.74
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
BDBA,B1KE30.73
NPYNAPHTHALENEA,B1O7G0.75
AN3ANTHRACENEA,B2HMN0.76
AN3ANTHRACENEA,B2HMM0.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
PEYPHENANTHRENEA,B2HML0.76
PEYPHENANTHRENEA,B2HMK0.76
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
N4BN-BUTYLBENZENEA186L0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
2HT3-methylbenzonitrileA,B3F880.79
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.77