Covpdb









Ligand
Ligand Name:   N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethene-1-sulfonamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1451 PubChem:   54756022
Synonym(s):  
  •   t338c src-in-1
  • 1351926-90-3
  • chembl2216823
  • n-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]ethenesulfonamide
  • schembl7509503
  • bdbm50403061
  • zinc95564454
  • hy-16905
show 7 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2216823
Canonical SMILES:   n1cnc(N)c(c12)c(nn2C(C)C)Cc3cccc(c3)NS(=O)(=O)C=C
Standard InChI:   InChI=1S/C17H20N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h4-8,10-11,22H,1,9H2,2-3H3,(H2,18,19,20)
Molecular Formula:   C17H20N6O2S Mol. Weight:   372.13684 logP:   2.4654
HBD:   2 HBA:   7
#Rotatable Bonds:   6 TPSA:   115.79

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) 3SVV VSP IC50 : 3497 nM, IC50 : >5000 nM BindingDB SHOW