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TitleMacrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Journal, issue, pagesChem Sci, Vol. 11, Page 7858-7863, Year 2020
Publish dateOct 22, 2019 (structure data deposition date)
AuthorsMothukuri, G.K. / Kale, S.S. / Stenbratt, C.L. / Zorzi, A. / Vesin, J. / Bortoli Chapalay, J. / Deyle, K. / Turcatti, G. / Cendron, L. / Angelini, A. / Heinis, C.
External linksChem Sci / PubMed:34094158
MethodsX-ray diffraction
Resolution2.32 Å
Structure data

PDB-6t7h:
Crystal structure of Thrombin in complex with macrocycle N14-PR4-A
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

Chemicals

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

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-MRQ:
(14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / serine protease / blood clotting factor / inhibition / macrocycle

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