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TitleDiscovery of a Novel Series of Potent, Selective, Orally Available, and Brain-Penetrable C1s Inhibitors for Modulation of the Complement Pathway.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 6354-6371, Year 2023
Publish dateMar 26, 2023 (structure data deposition date)
AuthorsIkeda, Z. / Kamei, T. / Sasaki, Y. / Reynolds, M. / Sakai, N. / Yoshikawa, M. / Tawada, M. / Morishita, N. / Dougan, D.R. / Chen, C.H. ...Ikeda, Z. / Kamei, T. / Sasaki, Y. / Reynolds, M. / Sakai, N. / Yoshikawa, M. / Tawada, M. / Morishita, N. / Dougan, D.R. / Chen, C.H. / Levin, I. / Zou, H. / Kuno, M. / Arimura, N. / Kikukawa, Y. / Kondo, M. / Tohyama, K. / Sato, K.
External linksJ. Med. Chem. / PubMed:37120845
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-8gmn:
Crystal structure of human C1s in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-ZWK:
[4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/INHIBITOR / Complement C1s Hydrolase. Protease Serine protease / HYDROLASE / HYDROLASE-INHIBITOR complex

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