Ligand
Ligand Name:   4-(6-Ethynyl-9H-purin-2-ylamino)benzenesulfonamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1059 PubChem:   137640457
Synonym(s):  
  •   chembl4074015
  • bdbm50235361
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4074015
Canonical SMILES:   NS(=O)(=O)c1ccc(cc1)Nc(nc(c23)[nH]cn3)nc2C#C
Standard InChI:   InChI=1S/C13H10N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h1,3-7H,(H2,14,20,21)(H2,15,16,17,18,19)
Molecular Formula:   C13H10N6O2S Mol. Weight:   314.0586 logP:   0.7252
HBD:   3 HBA:   6
#Rotatable Bonds:   3 TPSA:   126.65

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Serine/threonine-protein kinase Nek2 P51955 (NEK2_HUMAN) Homo sapiens (Human) 6SGD LD5
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