Ligand
Ligand Name:   N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1031 PubChem:   71473900
Synonym(s):  
  •   chembl4461455
  • schembl14165523
  • bdbm291515
  • us9580449, example a244
  • n-(3-((2-amino-3-(4-phenoxyphenyl)pyridin-4-yl)oxy)phenyl)acrylamide
  • n-[3-[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxyphenyl]prop-2-enamide
show 5 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4461455
Canonical SMILES:   Nc1nccc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Standard InChI:   InChI=1S/C26H21N3O3/c1-2-24(30)29-19-7-6-10-22(17-19)32-23-15-16-28-26(27)25(23)18-11-13-21(14-12-18)31-20-8-4-3-5-9-20/h2-17H,1H2,(H2,27,28)(H,29,30)
Molecular Formula:   C26H21N3O3 Mol. Weight:   423.1583 logP:   6.0399
HBD:   2 HBA:   5
#Rotatable Bonds:   7 TPSA:   86.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Tyrosine-protein kinase BTK Q06187 (BTK_HUMAN) Homo sapiens (Human) 6N9P KHD
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