4UVR
Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51
Summary for 4UVR
Entry DOI | 10.2210/pdb4uvr/pdb |
Descriptor | STEROL 14-DEMETHYLASE, CYP51, PROTOPORPHYRIN IX CONTAINING FE, Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, ... (5 entities in total) |
Functional Keywords | oxidoreductase, cyp51, sterol 14-demethylase, sterol biosynthesis, chagas disease |
Biological source | TRYPANOSOMA CRUZI |
Total number of polymer chains | 1 |
Total formula weight | 54898.67 |
Authors | Vieira, D.F.,Choi, J.Y.,Calvet, C.M.,Gut, J.,Kellar, D.,Siqueira-Neto, J.L.,Johnston, J.B.,McKerrow, J.H.,Roush, W.R.,Podust, L.M. (deposition date: 2014-08-08, release date: 2014-11-26, Last modification date: 2024-01-10) |
Primary citation | Vieira, D.F.,Choi, J.Y.,Calvet, C.M.,Siqueira-Neto, J.L.,Johnston, J.B.,Kellar, D.,Gut, J.,Cameron, M.D.,Mckerrow, J.H.,Roush, W.R.,Podust, L.M. Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57:10162-, 2014 Cited by PubMed: 25393646DOI: 10.1021/JM501568B PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.48 Å) |
Structure validation
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