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TitleIdentification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 5533-5539, Year 2013
Publish dateAug 6, 2013 (structure data deposition date)
AuthorsFauber, B.P. / Dragovich, P.S. / Chen, J. / Corson, L.B. / Ding, C.Z. / Eigenbrot, C. / Giannetti, A.M. / Hunsaker, T. / Labadie, S. / Liu, Y. ...Fauber, B.P. / Dragovich, P.S. / Chen, J. / Corson, L.B. / Ding, C.Z. / Eigenbrot, C. / Giannetti, A.M. / Hunsaker, T. / Labadie, S. / Liu, Y. / Malek, S. / Peterson, D. / Pitts, K. / Sideris, S. / Ultsch, M. / Vanderporten, E. / Wang, J. / Wei, B. / Yen, I. / Yue, Q.
External linksBioorg. Med. Chem. Lett. / PubMed:24012183
MethodsX-ray diffraction
Resolution2.052 Å
Structure data

PDB-4m49:
Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
Method: X-RAY DIFFRACTION / Resolution: 2.052 Å

Chemicals

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

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

ChemComp-22Y:
3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-LAC:
LACTIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / dehydrogenase/reductase / nicotinamide adenine dinucleotide NADH / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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