Ligand
Ligand Name:   TD-7
Ligand Type:   non-polymer
Ligand ID:   COVPDB864 PubChem:   90659691
Synonym(s):  
  •   schembl16516380
  • 2-[[6-(hydroxymethyl)pyridin-2-yl]methoxy]-5-methoxybenzaldehyde
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COc1ccc(c(C=O)c1)OCc2cccc(n2)CO
Standard InChI:   InChI=1S/C15H15NO4/c1-19-14-5-6-15(11(7-14)8-17)20-10-13-4-2-3-12(9-18)16-13/h2-8,18H,9-10H2,1H3
Molecular Formula:   C15H15NO4 Mol. Weight:   273.1001 logP:   1.974
HBD:   1 HBA:   5
#Rotatable Bonds:   6 TPSA:   68.65

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) 6DI4 GJ1
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