8DG6

Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors

Summary for 8DG6

Entry DOI	10.2210/pdb8dg6/pdb
Related	1DIC
Descriptor	Complement factor D, 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide (3 entities in total)
Functional Keywords	serine protease inhibitor complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	24896.69
Authors	Raman, K.,Babu, Y.S. (deposition date: 2022-06-23, release date: 2022-11-02, Last modification date: 2023-10-18)
Primary citation	Zhang, W.,Wu, M.,Vadlakonda, S.,Juarez, L.,Cheng, X.,Muppa, S.,Chintareddy, V.,Vogeti, L.,Kellogg-Yelder, D.,Williams, J.,Polach, K.,Chen, X.,Raman, K.,Babu, Y.S.,Kotian, P. Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors. Bioorg.Med.Chem., 74:117034-117034, 2022 Cited by PubMed: 36272185 DOI: 10.1016/j.bmc.2022.117034 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.986 Å)

Structure validation