Ligand
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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