Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase Mer
Ligand
BDBM50444073
Substrate
n/a
Meas. Tech.
ChEMBL_1279519 (CHEMBL3097238)
IC50
0.700000±n/a nM
Citation
 Zhang, W; Zhang, D; Stashko, MA; DeRyckere, D; Hunter, D; Kireev, D; Miley, MJ; Cummings, C; Lee, M; Norris-Drouin, J; Stewart, WM; Sather, S; Zhou, Y; Kirkpatrick, G; Machius, M; Janzen, WP; Earp, HS; Graham, DK; Frye, SV; Wang, X Pseudo-cyclization through intramolecular hydrogen bond enables discovery of pyridine substituted pyrimidines as new Mer kinase inhibitors. J Med Chem 56:9683-92 (2014) [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:
BDBM50444073
Synonyms:
CHEMBL3092792
Type:
Small organic molecule
Emp. Form.:
C23H34N6O4S
Mol. Mass.:
490.619
SMILES:
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)N1CCOCC1 |r,wU:11.10,wD:14.14,(17.06,-43.23,;18.4,-42.47,;19.73,-43.24,;21.06,-42.47,;22.4,-43.24,;23.73,-42.47,;25.07,-43.24,;26.4,-42.47,;26.4,-40.92,;25.06,-40.15,;25.06,-38.61,;23.72,-37.85,;22.4,-38.62,;21.06,-37.85,;21.06,-36.3,;19.73,-35.53,;22.39,-35.54,;23.72,-36.3,;23.73,-40.93,;27.73,-40.14,;29.06,-40.91,;30.39,-40.14,;30.39,-38.6,;29.04,-37.83,;27.72,-38.61,;31.72,-37.82,;32.48,-36.48,;30.94,-36.49,;33.05,-38.59,;33.05,-40.13,;34.38,-40.89,;35.71,-40.12,;35.71,-38.58,;34.37,-37.81,)|
Structure:
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