Ligand Download |
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Ligand Name: N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine | ||
HET ID: DJU | PubChem: 73814 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CN(Cc1c[nH]c2c1cc(OCc1ccccc1)cc2)C | ||
Standard InChI: InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3 | ||
Molecular Formula: C18H20N2O | Mol. Weight: 280.3642 | Heavy Atoms: 21 |
Charge: 0 | Is Chiral: False | logP: 3.8085 |
HBD: 1 | HBA: 2 | TPSA: 28.26 |
#Bonds: 24 | #Rotatable Bonds: 5 | Shape Complexity: 0.22222222 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Nucleoprotein | K9N4V7 (NCAP_MERS1) | Middle East respiratory syndrome-related coronavirus | 6KL6 |
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