Covpdb









Ligand
Ligand Name:   TL11-128
Ligand Type:   non-polymer
Ligand ID:   COVPDB318 PubChem:   132819865
Synonym(s):  
  •   chembl3884143
  • bdbm50209758
  • j3.609.774d
  • n-(1-methyl-1h-pyrazole-4-yl)-4-[2-(acryloylamino)phenoxy]-5-chloropyrimidine-2-amine
  • n-(2-((5-chloro-2-((1-methyl-1h-pyrazol-4-yl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3884143
Canonical SMILES:   Cn1cc(cn1)Nc2ncc(Cl)c(n2)Oc3ccccc3NC(=O)C=C
Standard InChI:   InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)
Molecular Formula:   C17H15ClN6O2 Mol. Weight:   370.0945 logP:   3.5239
HBD:   2 HBA:   7
#Rotatable Bonds:   6 TPSA:   93.96

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 Q15750 (M3K7_HUMAN) Homo sapiens (Human) 5JK3 6L4 IC50 : 7.3 nM PDBBind SHOW