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TitleDesign, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 4656-4668, Year 2019
Publish dateFeb 8, 2019 (structure data deposition date)
AuthorsKarki, R.G. / Powers, J. / Mainolfi, N. / Anderson, K. / Belanger, D.B. / Liu, D. / Ji, N. / Jendza, K. / Gelin, C.F. / Mac Sweeney, A. ...Karki, R.G. / Powers, J. / Mainolfi, N. / Anderson, K. / Belanger, D.B. / Liu, D. / Ji, N. / Jendza, K. / Gelin, C.F. / Mac Sweeney, A. / Solovay, C. / Delgado, O. / Crowley, M. / Liao, S.M. / Argikar, U.A. / Flohr, S. / La Bonte, L.R. / Lorthiois, E.L. / Vulpetti, A. / Brown, A. / Long, D. / Prentiss, M. / Gradoux, N. / de Erkenez, A. / Cumin, F. / Adams, C. / Jaffee, B. / Mogi, M.
External linksJ. Med. Chem. / PubMed:30995036
MethodsX-ray diffraction
Resolution1.8 - 2 Å
Structure data

PDB-6qmr:
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6qmt:
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-J6T:
2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid

ChemComp-HOH:
WATER

ChemComp-J7B:
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Complement factor D / inhibitor

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