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; PubMed: 25393646; DOI: 10.1021/JM501568B

Experimental method

X-RAY DIFFRACTION (2.48 Å)