Ligand |
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Ligand Name: N-[4-(pyrimidin-2-yl)phenyl]prop-2-enamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB461 | PubChem: 134274818 | |
Synonym(s):
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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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