Covpdb









Ligand
Ligand Name:   4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
Ligand Type:   non-polymer
Ligand ID:   COVPDB1163 PubChem:   126956694
Synonym(s):  
  •   pf-6808472
  • 2088112-70-1
  • 4-{4-[4-(5-cyclopropyl-1h-pyrazol-3-ylamino)-6-prop-2-ynylcarbamoyl-pyrimidin-2-yl]-piperazin-1-ylmethyl}-benzenesulfonyl fluoride
  • schembl22652820
  • zinc584905647
  • j3.652.411a
  • pf-6808472, >=98% (hplc)
  • 6-[(5-cyclopropyl-1h-pyrazole-3-yl)amino]-2-[4-[4-(fluorosulfonyl)benzyl]-1-piperazinyl]-n-propargylpyrimidine-4-carboxamide
show 7 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   FS(=O)(=O)c1ccc(CN2CCN(CC2)c2nc(Nc3cc(n[nH]3)C3CC3)cc(n2)C(=O)NCC#C)cc1
Standard InChI:   InChI=1S/C25H27FN8O3S/c1-2-9-27-24(35)21-15-22(29-23-14-20(31-32-23)18-5-6-18)30-25(28-21)34-12-10-33(11-13-34)16-17-3-7-19(8-4-17)38(26,36)37/h1,3-4,7-8,14-15,18H,5-6,9-13,16H2,(H,27,35)(H2,28,29,30,31,32)
Molecular Formula:   C25H27FN8O3S Mol. Weight:   538.1911 logP:   2.1641
HBD:   3 HBA:   9
#Rotatable Bonds:   9 TPSA:   136.21

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Epidermal growth factor receptor P00533 (EGFR_HUMAN) Homo sapiens (Human) 5U8L O44
-
-
SHOW
Proto-oncogene tyrosine-protein kinase Src P00523 (SRC_CHICK) Gallus gallus (Chicken) 5K9I O44
-
-
SHOW