Reaction Details Report a problem with these data
Target
Glutaminase kidney isoform, mitochondrial
Ligand
BDBM50605217
Substrate
n/a
Meas. Tech.
ChEMBL_2250762 (CHEMBL5164972)
Kd
52±n/a nM
Citation
 Xu, X; Chang, X; Huang, J; Zhang, D; Wang, M; Jing, T; Zhuang, Y; Kou, J; Qiu, Z; Wang, J; Li, Z; Bian, J Discovery of novel glutaminase 1 allosteric inhibitor with 4-piperidinamine linker and aromatic heterocycles. Eur J Med Chem 236:0 (2022) [PubMed] 
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:
BDBM50605217
Synonyms:
CHEMBL5194638
Type:
Small organic molecule
Emp. Form.:
C29H27F3N10O2S2
Mol. Mass.:
668.716
SMILES:
FC(F)(F)c1ccc(Cn2ccnc2C(=O)Nc2nnc(s2)N2CCC(CC2)Nc2nnc(NC(=O)Cc3ccccc3)s2)cc1
Structure:
Search PDB for entries with ligand similarity: