Ligand
Ligand Name:   N-(3-{7-amino-4-[(2-phenylethyl)amino]quinazolin-2-yl}phenyl)prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB449 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Nc1ccc2c(NCCc3ccccc3)nc(nc2c1)-c1cccc(NC(=O)C=C)c1
Standard InChI:   InChI=1S/C25H23N5O/c1-2-23(31)28-20-10-6-9-18(15-20)24-29-22-16-19(26)11-12-21(22)25(30-24)27-14-13-17-7-4-3-5-8-17/h2-12,15-16H,1,13-14,26H2,(H,28,31)(H,27,29,30)
Molecular Formula:   C25H23N5O Mol. Weight:   409.19025 logP:   4.6581
HBD:   3 HBA:   5
#Rotatable Bonds:   7 TPSA:   92.93

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) 5O8V 9O2
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