6T8U

Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine

This is a non-PDB format compatible entry.

Summary for 6T8U

• Entry DOI: 10.2210/pdb6t8u/pdb
• Descriptor: Complement factor B, 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, SULFATE ION, ... (4 entities in total)
• Functional Keywords: complement immune, inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 100612.93

Authors

Mainolfi, N.,Ehara, T.,Karki, R.G.,Anderson, K.,Mac Sweeney, A.,Wiesmann, C.,Adams, C.,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.,Fang, L.,Sellner, H.,Sirockin, F.,Valeur, E.,Erbel, P.,Ramage, P.,Gerhartz, B.,Schubart, A.,Flohr, S.,Gradoux, N.,Feifel, R.,Vogg, B.,Maibaum, J.,Eder, J.,Sedrani, R.,Harrison, R.A.,Mogi, M.,Jaffee, B.D.,Adams, C.M. (deposition date: 2019-10-25, release date: 2020-03-04, Last modification date: 2024-01-24)

• 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., 63:5697-5722, 2020; PubMed: 32073845; DOI: 10.1021/acs.jmedchem.9b01870

Experimental method

X-RAY DIFFRACTION (2.84 Å)