Ligand

Download

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
-
-
SHOW