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TitleIdentification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
Journal, issue, pagesSLAS Discov, Vol. 25, Page 1026-1037, Year 2020
Publish dateJun 13, 2019 (structure data deposition date)
AuthorsTykvart, J. / Navratil, V. / Kugler, M. / Sacha, P. / Schimer, J. / Hlavackova, A. / Tenora, L. / Zemanova, J. / Dejmek, M. / Kral, V. ...Tykvart, J. / Navratil, V. / Kugler, M. / Sacha, P. / Schimer, J. / Hlavackova, A. / Tenora, L. / Zemanova, J. / Dejmek, M. / Kral, V. / Potacek, M. / Majer, P. / Jahn, U. / Brynda, J. / Rezacova, P. / Konvalinka, J.
External linksSLAS Discov / PubMed:32452709
MethodsX-ray diffraction
Resolution1 - 1.38 Å
Structure data

PDB-6rzx:
Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-6s03:
Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-KPQ:
1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide

ChemComp-HOH:
WATER

ChemComp-KPW:
4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsLYASE / carbonic anhydrase / inhibitor

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