Reaction Details Report a problem with these data
Target
Glutaminase kidney isoform, mitochondrial
Ligand
BDBM50150062
Substrate
n/a
Meas. Tech.
ChEBML_1558520
IC50
30±n/a nM
Citation
 McDermott, LA; Iyer, P; Vernetti, L; Rimer, S; Sun, J; Boby, M; Yang, T; Fioravanti, M; O'Neill, J; Wang, L; Drakes, D; Katt, W; Huang, Q; Cerione, R Design and evaluation of novel glutaminase inhibitors. Bioorg Med Chem 24:1819-39 (2016) [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:
BDBM50150062
Synonyms:
CHEMBL3769896
Type:
Small organic molecule
Emp. Form.:
C22H26N8O2S2
Mol. Mass.:
498.624
SMILES:
O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Nc1nnc(NC(=O)Cc2ccccc2)s1
Structure:
Search PDB for entries with ligand similarity: