Covpdb









Ligand
Ligand Name:   LN2380
Ligand Type:   non-polymer
Ligand ID:   COVPDB1263 PubChem:   135313938
Synonym(s):  
  •   chembl4100860
  • schembl20482991
  • bdbm50238182
  • 2101644-21-5
  • n-(3-((4-(4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1h-imidazol-5-yl)pyridin-2-yl)amino)-4-methoxyphenyl)acrylamide
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4100860
Canonical SMILES:   COc1ccc(NC(=O)C=C)cc1Nc2cc(ccn2)-c3nc(CCCO)[nH]c3-c4ccc(F)cc4
Standard InChI:   InChI=1S/C27H26FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h3,6-13,15-16,34H,1,4-5,14H2,2H3,(H,29,31)(H,30,35)(H,32,33)
Molecular Formula:   C27H26FN5O3 Mol. Weight:   487.20197 logP:   5.0794
HBD:   4 HBA:   6
#Rotatable Bonds:   10 TPSA:   112.16

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Epidermal growth factor receptor P00533 (EGFR_HUMAN) Homo sapiens (Human) 6V6O QQM
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