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Target
Glutaminase kidney isoform, mitochondrial
Ligand
BDBM50503300
Substrate
n/a
Meas. Tech.
ChEMBL_1809974 (CHEMBL4309434)
IC50
0.200000±n/a nM
Citation
 Zimmermann, SC; Duvall, B; Tsukamoto, T Recent Progress in the Discovery of Allosteric Inhibitors of Kidney-Type Glutaminase. J Med Chem 62:46-59 (2019) [PubMed]  Article 
Target
Name:
Glutaminase kidney isoform, mitochondrial
Synonyms:
GLS | GLS1 | GLSK_HUMAN | Glutaminase 1 | K-glutaminase | KIAA0838 | L-glutamine amidohydrolase
Type:
Protein
Mol. Mass.:
73471.89
Organism:
Homo sapiens (Human)
Description:
O94925
Residue:
669
Sequence:
MMRLRGSGMLRDLLLRSPAGVSATLRRAQPLVTLCRRPRGGGRPAAGPAAAARLHPWWGGGGWPAEPLARGLSSSPSEILQELGKGSTHPQPGVSPPAAPAAPGPKDGPGETDAFGNSEGKELVASGENKIKQGLLPSLEDLLFYTIAEGQEKIPVHKFITALKSTGLRTSDPRLKECMDMLRLTLQTTSDGVMLDKDLFKKCVQSNIVLLTQAFRRKFVIPDFMSFTSHIDELYESAKKQSGGKVADYIPQLAKFSPDLWGVSVCTVDGQRHSTGDTKVPFCLQSCVKPLKYAIAVNDLGTEYVHRYVGKEPSGLRFNKLFLNEDDKPHNPMVNAGAIVVTSLIKQGVNNAEKFDYVMQFLNKMAGNEYVGFSNATFQSERESGDRNFAIGYYLKEKKCFPEGTDMVGILDFYFQLCSIEVTCESASVMAATLANGGFCPITGERVLSPEAVRNTLSLMHSCGMYDFSGQFAFHVGLPAKSGVAGGILLVVPNVMGMMCWSPPLDKMGNSVKGIHFCHDLVSLCNFHNYDNLRHFAKKLDPRREGGDQRVKSVINLLFAAYTGDVSALRRFALSAMDMEQRDYDSRTALHVAAAEGHVEVVKFLLEACKVNPFPKDRWNNTPMDEALHFGHHDVFKILQEYQVQYTPQGDSDNGKENQTVHKNLDGLL
  
Inhibitor
Name:
BDBM50503300
Synonyms:
CHEMBL4547874
Type:
Small organic molecule
Emp. Form.:
C27H24F3N7O3S
Mol. Mass.:
583.585
SMILES:
FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(C[C@H]3C[C@H](C3)c3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 |r,wD:21.23,19.18,(91.7,-43.25,;90.36,-44.02,;90.37,-45.56,;91.69,-44.79,;89.02,-43.26,;87.7,-44.03,;87.71,-45.58,;86.37,-46.35,;85.03,-45.58,;85.04,-44.04,;83.7,-43.27,;82.37,-44.04,;82.37,-45.58,;81.03,-43.27,;79.7,-44.04,;79.7,-45.58,;78.36,-46.36,;77.04,-45.58,;75.71,-46.35,;74.37,-45.57,;73.98,-44.09,;72.49,-44.49,;72.89,-45.97,;71.16,-43.72,;70.68,-42.25,;69.14,-42.25,;68.67,-43.72,;67.32,-44.48,;65.99,-43.7,;66,-42.16,;64.65,-44.46,;63.33,-43.68,;63.35,-42.14,;62.02,-41.36,;60.68,-42.12,;60.67,-43.67,;62,-44.44,;69.92,-44.63,;77.03,-44.04,;78.35,-43.27,;86.36,-43.27,)|
Structure:
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