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Target
Mitogen-activated protein kinase kinase kinase 7
Ligand
BDBM50514513
Substrate
n/a
Meas. Tech.
ChEMBL_1856978 (CHEMBL4357707)
IC50
1490±n/a nM
Citation
 Du, G; Rao, S; Gurbani, D; Henning, NJ; Jiang, J; Che, J; Yang, A; Ficarro, SB; Marto, JA; Aguirre, AJ; Sorger, PK; Westover, KD; Zhang, T; Gray, NS Structure-Based Design of a Potent and Selective Covalent Inhibitor for SRC Kinase That Targets a P-Loop Cysteine. J Med Chem 63:1624-1641 (2020) [PubMed]  Article
Target
Name:
Mitogen-activated protein kinase kinase kinase 7
Synonyms:
M3K7_HUMAN | MAP3K7 | Mitogen-activated protein kinase kinase kinase 7 | TAK1 | TAK1/TAB1 | TGF-beta-activated kinase 1 | Transforming growth factor-beta-activated kinase 1 (TAK1)
Type:
Protein
Mol. Mass.:
67199.89
Organism:
Homo sapiens (Human)
Description:
O43318
Residue:
606
Sequence:
MSTASAASSSSSSSAGEMIEAPSQVLNFEEIDYKEIEVEEVVGRGAFGVVCKAKWRAKDVAIKQIESESERKAFIVELRQLSRVNHPNIVKLYGACLNPVCLVMEYAEGGSLYNVLHGAEPLPYYTAAHAMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDFGTACDIQTHMTNNKGSAAWMAPEVFEGSNYSEKCDVFSWGIILWEVITRRKPFDEIGGPAFRIMWAVHNGTRPPLIKNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGADEPLQYPCQYSDEGQSNSATSTGSFMDIASTNTSNKSDTNMEQVPATNDTIKRLESKLLKNQAKQQSESGRLSLGASRGSSVESLPPTSEGKRMSADMSEIEARIAATTAYSKPKRGHRKTASFGNILDVPEIVISGNGQPRRRSIQDLTVTGTEPGQVSSRSSSPSVRMITTSGPTSEKPTRSHPWTPDDSTDTNGSDNSIPMAYLTLDHQLQPLAPCPNSKESMAVFEQHCKMAQEYMKVQTEIALLLQRKQELVAELDQDEKDQQNTSRLVQEHKKLLDENKSLSTYYQQCKKQLEVIRSQQQKRQGTS
  
Inhibitor
Name:
BDBM50514513
Synonyms:
CHEMBL4562024
Type:
Small organic molecule
Emp. Form.:
C32H33N7O2
Mol. Mass.:
547.6501
SMILES:
CN1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccccc3NC(=O)C=C)n2)-c2ccc(cc2)C(C)=O)cc1
Structure:
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