Reaction Details  Report a problem with these data
Target
Tyrosine-protein kinase Mer
Ligand
BDBM497272
Substrate
n/a
Meas. Tech.
ChEMBL_2129273 (CHEMBL4838702)
IC50
4.8±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:
Tyrosine-protein kinase Mer
Synonyms:
MER | MER intracellular domain/EGFR extracellular domain chimera | MERTK | MERTK_HUMAN | Proto-oncogene c-Mer | Proto-oncogene tyrosine-protein kinase MER | Receptor tyrosine kinase MerTK | Tyrosine-protein kinase Mer
Type:
PROTEIN
Mol. Mass.:
110234.77
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1498723
Residue:
999
Sequence:
MGPAPLPLLLGLFLPALWRRAITEAREEAKPYPLFPGPFPGSLQTDHTPLLSLPHASGYQPALMFSPTQPGRPHTGNVAIPQVTSVESKPLPPLAFKHTVGHIILSEHKGVKFNCSISVPNIYQDTTISWWKDGKELLGAHHAITQFYPDDEVTAIIASFSITSVQRSDNGSYICKMKINNEEIVSDPIYIEVQGLPHFTKQPESMNVTRNTAFNLTCQAVGPPEPVNIFWVQNSSRVNEQPEKSPSVLTVPGLTEMAVFSCEAHNDKGLTVSKGVQINIKAIPSPPTEVSIRNSTAHSILISWVPGFDGYSPFRNCSIQVKEADPLSNGSVMIFNTSALPHLYQIKQLQALANYSIGVSCMNEIGWSAVSPWILASTTEGAPSVAPLNVTVFLNESSDNVDIRWMKPPTKQQDGELVGYRISHVWQSAGISKELLEEVGQNGSRARISVQVHNATCTVRIAAVTRGGVGPFSDPVKIFIPAHGWVDYAPSSTPAPGNADPVLIIFGCFCGFILIGLILYISLAIRKRVQETKFGNAFTEEDSELVVNYIAKKSFCRRAIELTLHSLGVSEELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDVRNQADVIYVNTQLLESSEGLAQGSTLAPLDLNIDPDSIIASCTPRAAISVVTAEVHDSKPHEGRYILNGGSEEWEDLTSAPSAAVTAEKNSVLPGERLVRNGVSWSHSSMLPLGSSLPDELLFADDSSEGSEVLM
  
Inhibitor
Name:
BDBM497272
Synonyms:
(1S,4R)-4-(5-([1,4'- bipiperidin]-4-yl)-2-(((S)- pentan-2-yl)amino)-7H- pyrrolo[2,3-d]pyrimidin-7- yl)cyclohexan-1-ol | US11001586, Example 51
Type:
Small organic molecule
Emp. Form.:
C27H44N6O
Mol. Mass.:
468.6779
SMILES:
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(-7.34,-3,;-6.01,-2.23,;-4.68,-3,;-3.34,-2.23,;-3.34,-.69,;-2.01,-3,;-.67,-2.23,;-.67,-.69,;.66,.08,;1.99,-.69,;3.46,-.22,;4.36,-1.46,;3.46,-2.71,;3.93,-4.18,;5.44,-4.5,;5.92,-5.96,;4.88,-7.1,;5.36,-8.57,;3.38,-6.78,;2.9,-5.32,;1.99,-2.23,;.66,-3,;3.93,1.25,;5.44,1.57,;5.92,3.03,;4.88,4.18,;3.38,3.86,;2.9,2.39,;5.36,5.64,;6.87,5.96,;7.34,7.42,;6.31,8.57,;4.81,8.25,;4.33,6.78,)|
Structure:
Search PDB for entries with ligand similarity: