Ligand
Ligand Name:   INN-312
Ligand Type:   non-polymer
Ligand ID:   COVPDB194 PubChem:   16228199
Synonym(s):  
  •   5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
  • chembl1738732
  • schembl15065527
  • zinc20284367
  • akos009113655
  • db-129363
  • 5-methoxy-2-(3-pyridinylmethoxy)benzaldehyde
  • en300-86661
  • q27454058
show 8 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1738732
Canonical SMILES:   COc1ccc(c(c1)C=O)OCc2cccnc2
Standard InChI:   InChI=1S/C14H13NO3/c1-17-13-4-5-14(12(7-13)9-16)18-10-11-3-2-6-15-8-11/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) 3R5I 3R5
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