Reaction Details
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Tyrosine-protein kinase Mer
Ligand
BDBM50602486
Substrate
n/a
Meas. Tech.
ChEMBL_2241009 (CHEMBL5155219)
IC50
4.0±n/a nM
Citation
Wong, SW; Vivash, L; Mudududdla, R; Nguyen, N; Hermans, SJ; Shackleford, DM; Field, J; Xue, L; Aprico, A; Hancock, NC; Haskali, M; Stashko, MA; Frye, SV; Wang, X; Binder, MD; Ackermann, U; Parker, MW; Kilpatrick, TJ; Baell, JB Development of [ Eur J Med Chem 226:0 (2021) [PubMed] More Info.:
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:
BDBM50602486
Synonyms:
CHEMBL5196154
Type:
Small organic molecule
Emp. Form.:
C23H39FN6O2
Mol. Mass.:
450.5932
SMILES:
CCCCNc1ncc(C(=O)NC2CCN(CCCF)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(26.44,-12.6,;27.77,-11.83,;29.1,-12.6,;30.44,-11.83,;31.77,-12.6,;33.11,-11.83,;34.44,-12.6,;35.78,-11.83,;35.77,-10.28,;37.1,-9.51,;37.1,-7.97,;38.44,-10.27,;39.77,-9.5,;41.1,-10.27,;42.43,-9.5,;42.43,-7.96,;43.77,-7.19,;45.1,-7.96,;46.43,-7.19,;47.77,-7.96,;41.1,-7.19,;39.76,-7.96,;34.44,-9.52,;34.43,-7.98,;33.1,-7.21,;31.77,-7.98,;30.43,-7.21,;30.43,-5.67,;29.1,-4.9,;31.77,-4.9,;33.1,-5.67,;33.11,-10.29,)|
Structure:
