Reaction Details Report a problem with these data
Target
Glutaminase kidney isoform, mitochondrial
Ligand
BDBM50503298
Substrate
n/a
Meas. Tech.
ChEMBL_1809974 (CHEMBL4309434)
IC50
2.7±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:
BDBM50503298
Synonyms:
CHEMBL4462146
Type:
Small organic molecule
Emp. Form.:
C23H26N10O2S2
Mol. Mass.:
538.648
SMILES:
Cn1ccc(CC(=O)Nc2nnc(s2)[C@H]2C[C@@]3(C[C@@H](C3)c3nnc(NC(=O)Cc4ccn(C)n4)s3)C2)n1 |r,wU:14.14,16.38,wD:18.21,(1.74,-4.96,;3.28,-4.81,;4.06,-3.49,;5.56,-3.82,;5.71,-5.35,;7.04,-6.13,;8.38,-5.37,;8.39,-3.83,;9.71,-6.15,;11.05,-5.39,;11.53,-3.92,;13.07,-3.92,;13.54,-5.39,;12.3,-6.29,;14.87,-6.16,;16.35,-5.76,;16.76,-7.26,;18.24,-6.86,;18.64,-8.34,;17.15,-8.74,;19.98,-9.11,;21.22,-8.21,;22.47,-9.11,;21.99,-10.58,;23.31,-11.35,;24.65,-10.58,;24.65,-9.04,;25.98,-11.36,;27.32,-10.59,;27.48,-9.05,;28.99,-8.74,;29.75,-10.07,;31.28,-10.24,;28.72,-11.21,;20.45,-10.58,;15.27,-7.64,;4.3,-5.97,)|
Structure:
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