Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase 10
Ligand
BDBM24942
Substrate
n/a
Meas. Tech.
ChEMBL_988727 (CHEMBL2438998)
IC50
2.0±n/a nM
Citation
 Goodfellow, VS; Loweth, CJ; Ravula, SB; Wiemann, T; Nguyen, T; Xu, Y; Todd, DE; Sheppard, D; Pollack, S; Polesskaya, O; Marker, DF; Dewhurst, S; Gelbard, HA Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. J Med Chem 56:8032-48 (2013) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase 10
Synonyms:
M3K10_HUMAN | MAP3K10 | MLK2 | MST | Mitogen-activated protein kinase kinase kinase 10 | Mixed Lineage Kinase 2 (MLK2)
Type:
PROTEIN
Mol. Mass.:
103699.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1460564
Residue:
954
Sequence:
MEEEEGAVAKEWGTTPAGPVWTAVFDYEAAGDEELTLRRGDRVQVLSQDCAVSGDEGWWTGQLPSGRVGVFPSNYVAPGAPAAPAGLQLPQEIPFHELQLEEIIGVGGFGKVYRALWRGEEVAVKAARLDPEKDPAVTAEQVCQEARLFGALQHPNIIALRGACLNPPHLCLVMEYARGGALSRVLAGRRVPPHVLVNWAVQVARGMNYLHNDAPVPIIHRDLKSINILILEAIENHNLADTVLKITDFGLAREWHKTTKMSAAGTYAWMAPEVIRLSLFSKSSDVWSFGVLLWELLTGEVPYREIDALAVAYGVAMNKLTLPIPSTCPEPFARLLEECWDPDPHGRPDFGSILKRLEVIEQSALFQMPLESFHSLQEDWKLEIQHMFDDLRTKEKELRSREEELLRAAQEQRFQEEQLRRREQELAEREMDIVERELHLLMCQLSQEKPRVRKRKGNFKRSRLLKLREGGSHISLPSGFEHKITVQASPTLDKRKGSDGASPPASPSIIPRLRAIRLTPVDCGGSSSGSSSGGSGTWSRGGPPKKEELVGGKKKGRTWGPSSTLQKERVGGEERLKGLGEGSKQWSSSAPNLGKSPKHTPIAPGFASLNEMEEFAEAEDGGSSVPPSPYSTPSYLSVPLPAEPSPGARAPWEPTPSAPPARWGHGARRRCDLALLGCATLLGAVGLGADVAEARAADGEEQRRWLDGLFFPRAGRFPRGLSPPARPHGRREDVGPGLGLAPSATLVSLSSVSDCNSTRSLLRSDSDEAAPAAPSPPPSPPAPTPTPSPSTNPLVDLELESFKKDPRQSLTPTHVTAACAVSRGHRRTPSDGALGQRGPPEPAGHGPGPRDLLDFPRLPDPQALFPARRRPPEFPGRPTTLTFAPRPRPAASRPRLDPWKLVSFGRTLTISPPSRPDTPESPGPPSVQPTLLDMDMEGQNQDSTVPLCGAHGSH
  
Inhibitor
Name:
BDBM24942
Synonyms:
CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)methyl]-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
Type:
Small organic molecule
Emp. Form.:
C33H33N3O5S2
Mol. Mass.:
615.762
SMILES:
CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
Structure:
Search PDB for entries with ligand similarity: