Ligand
Ligand Name:   7-(ethenesulfonyl)-N-(oxan-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-amine
Ligand Type:   non-polymer
Ligand ID:   COVPDB650 PubChem:   122181354
Synonym(s):  
  •   chembl3590109
  • bdbm50094313
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3590109
Canonical SMILES:   C=CS(=O)(=O)N(C1)CCc(c12)cnc(n2)NC3CCOCC3
Standard InChI:   InChI=1S/C14H20N4O3S/c1-2-22(19,20)18-6-3-11-9-15-14(17-13(11)10-18)16-12-4-7-21-8-5-12/h2,9,12H,1,3-8,10H2,(H,15,16,17)
Molecular Formula:   C14H20N4O3S Mol. Weight:   324.1256 logP:   0.8989
HBD:   1 HBA:   6
#Rotatable Bonds:   4 TPSA:   84.42

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Mitogen-activated protein kinase 1 P28482 (MK01_HUMAN) Homo sapiens (Human) 4ZZM CQ6 IC50 : 10000 nM, IC50 : 9000 nM BindingDB SHOW