Reaction Details  Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase kinase 4
Ligand
BDBM497267
Substrate
n/a
Meas. Tech.
ChEMBL_2129296 (CHEMBL4838725)
IC50
43±n/a nM
Citation
 Zheng, H; Zhao, J; Li, B; Zhang, W; Stashko, MA; Minson, KA; Huey, MG; Zhou, Y; Earp, HS; Kireev, D; Graham, DK; DeRyckere, D; Frye, SV; Wang, X UNC5293, a potent, orally available and highly MERTK-selective inhibitor. Eur J Med Chem 220:0 (2021) [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:
BDBM497267
Synonyms:
(2,6-dimethylpyridin-4- yl)(4-(7-((1R,4S)-4- hydroxycyclohexyl)-2- (((S)-pentan-2-yl)amino)- 7H-pyrrolo[2,3- d]pyrimidin-5-yl)piperidin- 1-yl)methanone | US11001586, Example 34
Type:
Small organic molecule
Emp. Form.:
C30H42N6O2
Mol. Mass.:
518.6935
SMILES:
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|
Structure:
Search PDB for entries with ligand similarity: