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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03545072

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
DENINDENEA183L0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.72
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
BDBA,B1KE30.72
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
N4BN-BUTYLBENZENEA186L0.76
NPYNAPHTHALENEA,B1O7G0.7
I4BISOBUTYLBENZENEA184L0.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.74
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
FPRPROPYLBENZENEC1RHK0.76
2HT3-methylbenzonitrileA,B3F880.81
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72