8DEA
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Summary for 8DEA
Entry DOI | 10.2210/pdb8dea/pdb |
Related | 1BFP 1DIC |
Descriptor | Complement factor D, 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, GLYCEROL, ... (4 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 | 4 |
Total formula weight | 100293.23 |
Authors | Raman, K.,Babu, Y.S. (deposition date: 2022-06-20, 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: 36272185DOI: 10.1016/j.bmc.2022.117034 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.214 Å) |
Structure validation
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