8BSL

Human GLS in complex with compound 12

Summary for 8BSL

• Entry DOI: 10.2210/pdb8bsl/pdb
• Descriptor: Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide (3 entities in total)
• Functional Keywords: hydrolase, glutaminase, thiadiazole, pyridazine, inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 213716.46

Authors

Debreczeni, J.E. (deposition date: 2022-11-25, release date: 2023-01-18)

• Primary citation: Finlay, M.R.V.,Anderton, M.,Bailey, A.,Boyd, S.,Brookfield, J.,Cairnduff, C.,Charles, M.,Cheasty, A.,Critchlow, S.E.,Culshaw, J.,Ekwuru, T.,Hollingsworth, I.,Jones, N.,Leroux, F.,Littleson, M.,McCarron, H.,McKelvie, J.,Mooney, L.,Nissink, J.W.M.,Perkins, D.,Powell, S.,Quesada, M.J.,Raubo, P.,Sabin, V.,Smith, J.,Smith, P.D.,Stark, A.,Ting, A.,Wang, P.,Wilson, Z.,Winter-Holt, J.J.,Wood, J.M.,Wrigley, G.L.,Yu, G.,Zhang, P.; Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.; J Med Chem, 62:6540-6560, 2019; PubMed: 31199640; DOI: 10.1021/acs.jmedchem.9b00260

Experimental method

X-RAY DIFFRACTION (2.38 Å)