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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01661345

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
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
I4BISOBUTYLBENZENEA184L0.74
FPRPROPYLBENZENEC1RHK0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
2HT3-methylbenzonitrileA,B3F880.79
N4BN-BUTYLBENZENEA186L0.72
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72