6OE0

Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects

Summary for 6OE0

DescriptorCarbonic anhydrase 2, ZINC ION, 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide, ... (5 entities in total)
Functional Keywordscarbonic anhydrase inhibitors, metalloenzymes, organoselenium, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight29841.01
Authors
Peat, T.S. (deposition date: 2019-03-27, release date: 2019-06-12)
Primary citation
Angeli, A.,Di Cesare Mannelli, L.,Ghelardini, C.,Peat, T.S.,Bartolucci, G.,Menicatti, M.,Carta, F.,Supuran, C.T.
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177:188-197, 2019
PubMed: 31136893 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2019.05.058
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24450 0.5% 7.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution