Ligand

Download

Ligand Name:   N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE
HET ID:   2PM PubChem:   3100
DrugBank:   DB01075 ChEMBL:   CHEMBL657
Canonical SMILES:   CN(CCOC(c1ccccc1)c1ccccc1)C
Standard InChI:   InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
Molecular Formula:   C17H21NO Mol. Weight:   255.35474 Heavy Atoms:   19
Charge:   0 Is Chiral:   False logP:   3.3542
HBD:   0 HBA:   2 TPSA:   12.47
#Bonds:   20 #Rotatable Bonds:   6 Shape Complexity:   0.29411766
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Histamine N-methyltransferase P50135 (HNMT_HUMAN) Homo sapiens 2AOT
-
-
SHOW