6T8W

Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid

This is a non-PDB format compatible entry.

Summary for 6T8W

• Entry DOI: 10.2210/pdb6t8w/pdb
• Descriptor: Complement factor B, SULFATE ION, 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, ... (5 entities in total)
• Functional Keywords: complement immune, inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 67159.81

Authors

Mainolfi, N.,Ehara, T.,Karki, R.G.,Anderson, K.,Sweeney, A.M.,Wiesmann, C.,Adams, C.,Mainolfi, N.,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.,Wu, M.S.,Capparelli, M.,Ramqaj, R.,Solovay, C.,Cumin, F.,Smith, T.M.,Ferrara, L.,Lee, W.,Long, D.,Prentiss, M.,Erkenez, A.D.,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.,Wiesmann, C.,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 (1.7 Å)