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TitlePeng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H.
Journal, issue, pagesJ. Chem. Inf. Model., Vol. 55, Page 284-, Year 2015
Publish dateJan 6, 2015 (structure data deposition date)
AuthorsMoser, D. / Wittmann, S.K. / Kramer, J. / Blocher, R. / Achenbach, J. / Pogoryelov, D. / Proschak, E.
External linksJ. Chem. Inf. Model. / PubMed:25625859
MethodsX-ray diffraction
Resolution1.864 Å
Structure data

PDB-5aen:
Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine
Method: X-RAY DIFFRACTION / Resolution: 1.864 Å

Chemicals

ChemComp-DP8:
N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine

ChemComp-ZN:
Unknown entry

ChemComp-YB:
YTTERBIUM (III) ION

ChemComp-IMD:
IMIDAZOLE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / LEUKOTRIENE (LT) A4 HYDROLASE/AMINOPEPTIDASE / LTA4H

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