Ligand |
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Ligand Name: (3E)-4-(3-{7-amino-4-[(2-phenylethyl)amino]quinazolin-2-yl}phenyl)but-3-en-2-one | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB450 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(=O)\C=C\c1cccc(c1)-c1nc(NCCc2ccccc2)c2ccc(N)cc2n1 | ||
Standard InChI: InChI=1S/C26H24N4O/c1-18(31)10-11-20-8-5-9-21(16-20)25-29-24-17-22(27)12-13-23(24)26(30-25)28-15-14-19-6-3-2-4-7-19/h2-13,16-17H,14-15,27H2,1H3,(H,28,29,30)/b11-10+ | ||
Molecular Formula: C26H24N4O | Mol. Weight: 408.195 | logP: 5.1358 |
HBD: 2 | HBA: 5 | |
#Rotatable Bonds: 7 | TPSA: 80.9 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Mitogen-activated protein kinase 14 | Q16539 (MK14_HUMAN) | Homo sapiens (Human) | 5O8U | 9O5 |
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