Ligand Download |
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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 |
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