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TitleIdentification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 3186-3194, Year 2013
Publish dateMar 15, 2013 (structure data deposition date)
AuthorsDragovich, P.S. / Fauber, B.P. / Corson, L.B. / Ding, C.Z. / Eigenbrot, C. / Ge, H. / Giannetti, A.M. / Hunsaker, T. / Labadie, S. / Liu, Y. ...Dragovich, P.S. / Fauber, B.P. / Corson, L.B. / Ding, C.Z. / Eigenbrot, C. / Ge, H. / Giannetti, A.M. / Hunsaker, T. / Labadie, S. / Liu, Y. / Malek, S. / Pan, B. / Peterson, D. / Pitts, K. / Purkey, H.E. / Sideris, S. / Ultsch, M. / Vanderporten, E. / Wei, B. / Xu, Q. / Yen, I. / Yue, Q. / Zhang, H. / Zhang, X.
External linksBioorg. Med. Chem. Lett. / PubMed:23628333
MethodsX-ray diffraction
Resolution1.896 Å
Structure data

PDB-4jnk:
Lactate Dehydrogenase A in complex with inhibitor compound 22
Method: X-RAY DIFFRACTION / Resolution: 1.896 Å

Chemicals

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-ZHK:
(2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

ChemComp-SO4:
SULFATE ION

ChemComp-LAC:
LACTIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / alpha-beta / pyruvate reductase and lactate dehydrogenase / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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