Ligand |
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Ligand Name: ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB880 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: n1cnc(OC)c(c12)c(c[nH]2)-c3cccc(c3)NC(=O)C=C | ||
Standard InChI: InChI=1S/C16H14N4O2/c1-3-13(21)20-11-6-4-5-10(7-11)12-8-17-15-14(12)16(22-2)19-9-18-15/h3-9H,1H2,2H3,(H,20,21)(H,17,18,19) | ||
Molecular Formula: C16H14N4O2 | Mol. Weight: 294.11166 | logP: 2.758 |
HBD: 2 | HBA: 4 | |
#Rotatable Bonds: 4 | TPSA: 79.9 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Proto-oncogene tyrosine-protein kinase Src | P00523 (SRC_CHICK) | Gallus gallus (Chicken) | 6HVE | GUW |
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SHOW |