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Target
Mitogen-activated protein kinase kinase kinase kinase 4
Ligand
BDBM50122739
Substrate
n/a
Meas. Tech.
ChEMBL_1519919 (CHEMBL3624922)
IC50
3.7±n/a nM
Citation
 Ndubaku, CO; Crawford, TD; Chen, H; Boggs, JW; Drobnick, J; Harris, SF; Jesudason, R; McNamara, E; Nonomiya, J; Sambrone, A; Schmidt, S; Smyczek, T; Vitorino, P; Wang, L; Wu, P; Yeung, S; Chen, J; Chen, K; Ding, CZ; Wang, T; Xu, Z; Gould, SE; Murray, LJ; Ye, W Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. ACS Med Chem Lett 6:913-8 (2015) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase kinase 4
Synonyms:
HGK | HPK/GCK-like kinase HGK | KIAA0687 | M4K4_HUMAN | MAP4K4 | MAP4K4 (HGK) | MAPK/ERK kinase kinase kinase 4 | MEK kinase kinase 4 | MEKKK 4 | Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) | NIK | Nck-interacting kinase
Type:
Serine/threonine-protein kinase
Mol. Mass.:
142114.73
Organism:
Homo sapiens (Human)
Description:
O95819
Residue:
1239
Sequence:
MANDSPAKSLVDIDLSSLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEEIKLEINMLKKYSHHRNIATYYGAFIKKSPPGHDDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVSAQLDRTVGRRNTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTRKKRGEKDETEYEYSGSEEEEEEVPEQEGEPSSIVNVPGESTLRRDFLRLQQENKERSEALRRQQLLQEQQLREQEEYKRQLLAERQKRIEQQKEQRRRLEEQQRREREARRQQEREQRRREQEEKRRLEELERRRKEEEERRRAEEEKRRVEREQEYIRRQLEEEQRHLEVLQQQLLQEQAMLLECRWREMEEHRQAERLQRQLQQEQAYLLSLQHDHRRPHPQHSQQPPPPQQERSKPSFHAPEPKAHYEPADRAREVEDRFRKTNHSSPEAQSKQTGRVLEPPVPSRSESFSNGNSESVHPALQRPAEPQVPVRTTSRSPVLSRRDSPLQGSGQQNSQAGQRNSTSIEPRLLWERVEKLVPRPGSGSSSGSSNSGSQPGSHPGSQSGSGERFRVRSSSKSEGSPSQRLENAVKKPEDKKEVFRPLKPADLTALAKELRAVEDVRPPHKVTDYSSSSEESGTTDEEDDDVEQEGADESTSGPEDTRAASSLNLSNGETESVKTMIVHDDVESEPAMTPSKEGTLIVRQTQSASSTLQKHKSSSSFTPFIDPRLLQISPSSGTTVTSVVGFSCDGMRPEAIRQDPTRKGSVVNVNPTNTRPQSDTPEIRKYKKRFNSEILCAALWGVNLLVGTESGLMLLDRSGQGKVYPLINRRRFQQMDVLEGLNVLVTISGKKDKLRVYYLSWLRNKILHNDPEVEKKQGWTTVGDLEGCVHYKVVKYERIKFLVIALKSSVEVYAWAPKPYHKFMAFKSFGELVHKPLLVDLTVEEGQRLKVIYGSCAGFHAVDVDSGSVYDIYLPTHIQCSIKPHAIIILPNTDGMELLVCYEDEGVYVNTYGRITKDVVLQWGEMPTSVAYIRSNQTMGWGEKAIEIRSVETGHLDGVFMHKRAQRLKFLCERNDKVFFASVRSGGSSQVYFMTLGRTSLLSW
  
Inhibitor
Name:
BDBM50122739
Synonyms:
CHEMBL3623136
Type:
Small organic molecule
Emp. Form.:
C19H17FN4O2
Mol. Mass.:
352.3623
SMILES:
Nc1ncc(C(=O)N[C@@H]2C[C@H](O)C2)c2ccc(nc12)-c1cccc(F)c1 |r,wD:8.7,10.10,(1.33,2.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;.27,-3.7,;2.67,-3.85,;2.67,-5.39,;3.76,-6.42,;2.67,-7.51,;2.67,-8.74,;1.58,-6.42,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-7.75,.92,;-5.35,.77,)|
Structure:
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