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TitleRational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease.
Journal, issue, pagesBioorg. Med. Chem., Vol. 26, Page 2530-2538, Year 2018
Publish dateNov 17, 2017 (structure data deposition date)
AuthorsPagare, P.P. / Ghatge, M.S. / Musayev, F.N. / Deshpande, T.M. / Chen, Q. / Braxton, C. / Kim, S. / Venitz, J. / Zhang, Y. / Abdulmalik, O. / Safo, M.K.
External linksBioorg. Med. Chem. / PubMed:29655608
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-6bnr:
Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-CMO:
CARBON MONOXIDE

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-E0J:
2-[(4-methoxy-2-methylphenoxy)methyl]pyridine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXYGEN TRANSPORT / Hemoglobin / Aromatic aldehyde / Antisickling / Allosteric effector / alpha-cleft

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