Ligand
Ligand Name:   ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB879 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C=CC(=O)Nc1cc(ccc1)-c2c([nH]c(c23)ncn(c3=O)CC)-c4ccc(cc4)N5CC[NH+](C)CC5
Standard InChI:   InChI=1S/C28H30N6O2/c1-4-23(35)30-21-8-6-7-20(17-21)24-25-27(29-18-33(5-2)28(25)36)31-26(24)19-9-11-22(12-10-19)34-15-13-32(3)14-16-34/h4,6-12,17-18,31H,1,5,13-16H2,2-3H3,(H,30,35)/p+1
Molecular Formula:   C28H31N6O2+ Mol. Weight:   483.2503 logP:   2.5377
HBD:   3 HBA:   5
#Rotatable Bonds:   6 TPSA:   87.46

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proto-oncogene tyrosine-protein kinase Src P00523 (SRC_CHICK) Gallus gallus (Chicken) 6HVF GUT
-
-
SHOW