6T8V

Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole

This is a large structure.

Summary for 6T8V

DescriptorComplement factor B, SULFATE ION, 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, ... (5 entities in total)
Functional Keywordscomplement immune, inhibitor, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight67247.83
Authors
Primary citation
Mainolfi, N.,Ehara, T.,Karki, R.G.,Anderson, K.,Mac Sweeney, A.,Liao, S.M.,Argikar, U.A.,Jendza, K.,Zhang, C.,Powers, J.,Klosowski, D.W.,Crowley, M.,Kawanami, T.,Ding, J.,April, M.,Forster, C.,Serrano-Wu, M.,Capparelli, M.,Ramqaj, R.,Solovay, C.,Cumin, F.,Smith, T.M.,Ferrara, L.,Lee, W.,Long, D.,Prentiss, M.,De Erkenez, A.,Yang, L.,Liu, F.,Sellner, H.,Sirockin, F.,Valeur, E.,Erbel, P.,Ostermeier, D.,Ramage, P.,Gerhartz, B.,Schubart, A.,Flohr, S.,Gradoux, N.,Feifel, R.,Vogg, B.,Wiesmann, C.,Maibaum, J.,Eder, J.,Sedrani, R.,Harrison, R.A.,Mogi, M.,Jaffee, B.D.,Adams, C.M.
Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 2020
PubMed: 32073845 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b01870
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.29 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2544 0.2% 6.0% 0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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