Ligand
Ligand Name:   N-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-[(7-methoxy-4-quinolyl)oxy]-2-pyridyl]acetamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1161 PubChem:   146037624
Synonym(s):  
  •   o3e
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COc(cc1)cc(c12)nccc2Oc3cnc(c(c3)OC)CC(=O)Nc(cc4)cc(c45)C(C)(C)OC(=N5)C#CC
Standard InChI:   InChI=1S/C31H28N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,17H2,1-5H3,(H,34,36)
Molecular Formula:   C31H28N4O5 Mol. Weight:   536.206 logP:   5.9391
HBD:   1 HBA:   8
#Rotatable Bonds:   7 TPSA:   104.16

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Mast/stem cell growth factor receptor Kit P10721 (KIT_HUMAN) Homo sapiens (Human) 6XVB O2H
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