Ligand
Ligand Name:   N-[4-(pyrimidin-2-yl)phenyl]prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB461 PubChem:   134274818
Synonym(s):  
  •   schembl19889036
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C=CC(=O)Nc1ccc(cc1)-c2ncccn2
Standard InChI:   InChI=1S/C13H11N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h2-9H,1H2,(H,16,17)
Molecular Formula:   C13H11N3O Mol. Weight:   225.09021 logP:   2.2681
HBD:   1 HBA:   3
#Rotatable Bonds:   3 TPSA:   54.88

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cyclin-dependent kinase 2 P24941 (CDK2_HUMAN) Homo sapiens (Human) 5OO1 9Z2
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