6I0L

Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor

Summary for 6I0L

• Entry DOI: 10.2210/pdb6i0l/pdb
• Descriptor: Carbonic anhydrase 1, ZINC ION, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea, ... (6 entities in total)
• Functional Keywords: carbonic anhydrase i, inhibitor, lyase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 59122.16

Authors

Ferraroni, M.,Supuran, C.T.,Bozdag, M.,Chiapponi, D. (deposition date: 2018-10-26, release date: 2019-11-20, Last modification date: 2024-01-24)

• Primary citation: Bozdag, M.,Ferraroni, M.,Ward, C.,Carta, F.,Bua, S.,Angeli, A.,Langdon, S.P.,Kunkler, I.H.,Al-Tamimi, A.S.,Supuran, C.T.; Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.; Eur.J.Med.Chem., 182:111600-111600, 2019; PubMed: 31419777; DOI: 10.1016/j.ejmech.2019.111600

Experimental method

X-RAY DIFFRACTION (1.4 Å)