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Structure paper

TitleDiscovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 6268-6272, Year 2010
Publish dateAug 31, 2010 (structure data deposition date)
AuthorsScheiper, B. / Matter, H. / Steinhagen, H. / Stilz, U. / Bocskei, Z. / Fleury, V. / McCort, G.
External linksBioorg. Med. Chem. Lett. / PubMed:20850300
MethodsX-ray diffraction
Resolution2.55 - 2.9 Å
Structure data

PDB-3oot:
Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-3oqf:
Crystal Structure Analysis of Renin-indole-piperazine inhibitor complexes
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-3oqk:
Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-SSR:
2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol

ChemComp-HOH:
WATER

ChemComp-S51:
2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole

ChemComp-S52:
2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / RENIN HUMAN / ASPARTYL PROTEASE / RENIN INHIBITION / HYPERTENSION

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