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Structure paper

TitleDiscovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 1124-1129, Year 2021
Publish dateApr 9, 2021 (structure data deposition date)
AuthorsMa, B. / Zhang, L. / Sun, L. / Xin, Z. / Kumaravel, G. / Marcotte, D. / Chodaparambil, J.V. / Wang, Q. / Wehr, A. / Jing, J. ...Ma, B. / Zhang, L. / Sun, L. / Xin, Z. / Kumaravel, G. / Marcotte, D. / Chodaparambil, J.V. / Wang, Q. / Wehr, A. / Jing, J. / Hong, V.S. / Wang, T. / Huang, C. / Shao, Z. / Mi, S.
External linksAcs Med. Chem. Lett. / PubMed:34267882
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-7mfh:
Crystal structure of BIO-32546 bound mouse Autotaxin
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-ZF7:
(1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid

ChemComp-IOD:
IODIDE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ZN:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE/INHIBITOR / hydrolase inhibitor / Autotaxin / HYDROLASE / HYDROLASE-INHIBITOR complex

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