Ligand
Ligand Name:   INN-298
Ligand Type:   non-polymer
Ligand ID:   COVPDB535 PubChem:   16228424
Synonym(s):  
  •   4-methoxy-3-(pyridin-2-ylmethoxy)benzaldehyde
  • 4-methoxy-3-(pyridin-2-ylmethoxy)-benzaldehyde
  • 923133-01-1
  • schembl15474905
  • bbl026448
  • sbb085503
  • stl365466
  • zinc13536157
  • akos000100857
  • mcule-5372234185
  • vs-08312
  • 4-methoxy-3-(2-pyridylmethoxy)benzaldehyde
  • en300-86873
  • z-1160
  • 4-methoxy-3-[(pyridin-2-yl)methoxy]benzaldehyde
show 14 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COc1ccc(C=O)cc1OCc2ccccn2
Standard InChI:   InChI=1S/C14H13NO3/c1-17-13-6-5-11(9-16)8-14(13)18-10-12-4-2-3-7-15-12/h2-9H,10H2,1H3
Molecular Formula:   C14H13NO3 Mol. Weight:   243.08954 logP:   2.4817
HBD:   0 HBA:   4
#Rotatable Bonds:   5 TPSA:   48.42

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Hemoglobin subunit alpha P69905 (HBA_HUMAN) Homo sapiens (Human) 3IC0 B77
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