Metalacarborane inhibitors of Carbonic Anhydrase IX

Summary for 5OGN

DescriptorCarbonic anhydrase 2, ZINC ION, cobaltcarborane, ... (4 entities in total)
Functional Keywordscarbonic anhydrase ix, ca inhibitor, lyase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight59287.2
Brynda, J.,Rezacova, P.,Pospisilova, K.,Kugler, M.,Gruner, B.,Sicha, V. (deposition date: 2017-07-13, release date: 2018-08-01, Last modification date: 2019-11-13)
Primary citation
Gruner, B.,Brynda, J.,Das, V.,Sicha, V.,Stepankova, J.,Nekvinda, J.,Holub, J.,Pospisilova, K.,Fabry, M.,Pachl, P.,Kral, V.,Kugler, M.,Masek, V.,Medvedikova, M.,Matejkova, S.,Nova, A.,Liskova, B.,Gurska, S.,Dzubak, P.,Hajduch, M.,Rezacova, P.
Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
PubMed: 31568723 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00945
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21620 0.7% 1.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-11-25