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Structure paper

TitleIdentification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 5683-5687, Year 2014
Publish dateOct 17, 2014 (structure data deposition date)
AuthorsFauber, B.P. / Dragovich, P.S. / Chen, J. / Corson, L.B. / Ding, C.Z. / Eigenbrot, C. / Labadie, S. / Malek, S. / Peterson, D. / Purkey, H.E. ...Fauber, B.P. / Dragovich, P.S. / Chen, J. / Corson, L.B. / Ding, C.Z. / Eigenbrot, C. / Labadie, S. / Malek, S. / Peterson, D. / Purkey, H.E. / Robarge, K. / Sideris, S. / Ultsch, M. / Wei, B. / Yen, I. / Yue, Q. / Zhou, A.
External linksBioorg. Med. Chem. Lett. / PubMed:25467161
MethodsX-ray diffraction
Resolution1.91 Å
Structure data

PDB-4rls:
Lactate Dehydrogenase in complex with inhibitor compound 47
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

Chemicals

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

ChemComp-SO4:
SULFATE ION

ChemComp-2OP:
(2S)-2-HYDROXYPROPANOIC ACID

ChemComp-49C:
(1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE

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