Reaction Details  Report a problem with these data
Target
Glutaminase kidney isoform, mitochondrial
Ligand
BDBM404915
Substrate
n/a
Meas. Tech.
ChEMBL_2022793 (CHEMBL4676606)
IC50
44±n/a nM
Citation
 Soth, MJ; Le, K; Di Francesco, ME; Hamilton, MM; Liu, G; Burke, JP; Carroll, CL; Kovacs, JJ; Bardenhagen, JP; Bristow, CA; Cardozo, M; Czako, B; de Stanchina, E; Feng, N; Garvey, JR; Gay, JP; Do, MKG; Greer, J; Han, M; Harris, A; Herrera, Z; Huang, S; Giuliani, V; Jiang, Y; Johnson, SB; Johnson, TA; Kang, Z; Leonard, PG; Liu, Z; McAfoos, T; Miller, M; Morlacchi, P; Mullinax, RA; Palmer, WS; Pang, J; Rogers, N; Rudin, CM; Shepard, HE; Spencer, ND; Theroff, J; Wu, Q; Xu, A; Yau, JA; Draetta, G; Toniatti, C; Heffernan, TP; Jones, P Discovery of IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and Physicochemical Properties. J Med Chem 63:12957-12977 (2020) [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:
BDBM404915
Synonyms:
(R)-1-(2-fluoro-4-(6-(2-(4- (trifluoromethyl)pyridin-2- yl)acetamido)pyridazin-3-yl)butyl)- N-methyl-1H-1,2,3-triazole-4- carboxamide | US10344025, Example 259 | US11370786, Example 259
Type:
Small organic molecule
Emp. Form.:
C20H20F4N8O2
Mol. Mass.:
480.4188
SMILES:
CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(ccn3)C(F)(F)F)nn2)nn1 |r|
Structure:
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