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TitleDiscovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 16410-16425, Year 2023
Publish dateSep 29, 2023 (structure data deposition date)
AuthorsThoma, G. / Markert, C. / Lueoend, R. / Miltz, W. / Spanka, C. / Bollbuck, B. / Wolf, R.M. / Srinivas, H. / Penno, C.A. / Kiffe, M. ...Thoma, G. / Markert, C. / Lueoend, R. / Miltz, W. / Spanka, C. / Bollbuck, B. / Wolf, R.M. / Srinivas, H. / Penno, C.A. / Kiffe, M. / Gajewska, M. / Bednarczyk, D. / Wieczorek, G. / Evans, A. / Beerli, C. / Rohn, T.A.
External linksJ. Med. Chem. / PubMed:38015154
MethodsX-ray diffraction
Resolution1.6 - 2.35 Å
Structure data

PDB-8qow:
LTA4 hydrolase in complex with compound 2(S)
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-8qpn:
LTA4 hydrolase in complex with compound 6(S)
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8qq4:
LTA4 hydrolase in complex with compound 6(R)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-YB:
YTTERBIUM (III) ION

ChemComp-IMD:
IMIDAZOLE

ChemComp-WID:
(2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol

ChemComp-HOH:
WATER

ChemComp-WSL:
(2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol

ChemComp-WEE:
(2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol

Source
  • homo sapiens (human)
KeywordsHYDROLASE / LTA4H / Inhibitors

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