Ligand
Ligand Name:   N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1276 PubChem:   10401956
Synonym(s):  
  •   chembl1221699
  • n-(4-(phenylamino)quinazolin-6-yl)acrylamide
  • nchembio866-comp4
  • n-[4-(phenylamino)quinazolin-6-yl]prop-2-enamide
  • schembl614989
  • bdbm50324687
  • db08462
  • n-(4-anilinoquinazoline-6-yl)acrylamide
  • 4[phenyl-amino]-6-acrylamido-quinazoline
  • q27097668
show 9 synonym(s)
DrugBank:   DB08462 ChEMBL:   CHEMBL1221699
Canonical SMILES:   C=CC(=O)Nc(c1)ccc(c12)ncnc2Nc3ccccc3
Standard InChI:   InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
Molecular Formula:   C17H14N4O Mol. Weight:   290.11676 logP:   3.4979
HBD:   2 HBA:   4
#Rotatable Bonds:   4 TPSA:   66.91

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) 2HWO RBS IC50 : >27000 nM, IC50 : 27000 nM BindingDB SHOW