Ligand
Ligand Name:   PD168393
Ligand Type:   non-polymer
Ligand ID:   COVPDB705 PubChem:   4708
Synonym(s):  
  •   194423-15-9
  • pd-168393
  • pd 168393
  • 4-[(3-bromophenyl)amino]-6-acrylamidoquinazoline
  • unii-3r996y9t0i
  • n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide
  • n-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide
  • n-(4-((3-bromophenyl)amino)quinazolin-6-yl)acrylamide
  • chembl285063
  • 3r996y9t0i
  • c17h13brn4o
  • n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide
  • 2-propenamide, n-(4-((3-bromophenyl)amino)-6-quinazolinyl)-
  • 2-propenamide, n-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-
  • nchembio866-comp2
  • n-[4-[(3-bromophenyl)amino]quinazolin-6-yl]acrylamide
  • bmc163482 compound 1
  • 4-anilinoquinazoline deriv. 2
  • bdbm4567
  • schembl2680536
  • dtxsid80274444
  • ex-a808
  • chebi:131504
  • hms3652f18
  • bcp07986
  • zinc1488208
  • 2635ah
  • hsci1_000120
  • mfcd02179207
  • s7039
  • akos027337569
  • ccg-268278
  • cs-5723
  • db07662
  • sb19366
  • ncgc00386260-01
  • ncgc00386260-02
  • ac-32813
  • ak339258
  • as-67687
  • da-43376
  • hy-13896
  • ft-0700253
  • sw218184-2
  • pd168393, >=98% (hplc)
  • j-012594
  • n-(4-(3-bromophenylamino)quinazolin-6-yl)acrylamide
  • q26998221
show 47 synonym(s)
DrugBank:   DB07662 ChEMBL:   CHEMBL285063
Canonical SMILES:   C=CC(=O)Nc(c1)ccc(c12)ncnc2Nc3cccc(Br)c3
Standard InChI:   InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
Molecular Formula:   C17H13BrN4O Mol. Weight:   368.02728 logP:   4.2604
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) 2HWP DJK IC50 : 340->27000 nM, IC50 : 27000 nM, IC50 : 340 nM, IC50 : 2810 nM BindingDB SHOW
Proto-oncogene tyrosine-protein kinase Src P00523 (SRC_CHICK) Gallus gallus (Chicken) 3LOK DJK IC50 : 120 nM PDBBind SHOW
Proto-oncogene tyrosine-protein kinase Src P00523 (SRC_CHICK) Gallus gallus (Chicken) 3LOK DJK IC50 : 340->27000 nM BindingDB SHOW
Epidermal growth factor receptor P00533 (EGFR_HUMAN) Homo sapiens (Human) 4LQM DJK
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