Reaction Details Report a problem with these data
Target
Sortilin
Ligand
BDBM50445041
Substrate
n/a
Meas. Tech.
hSortilin Affinity Assay
pH
7.4±n/a
Ki
84±n/a nM
IC50
88±n/a nM
Comments
extracted
Citation
 Maltas, PJ; Watson, S; Langg{hacek over (a)}rd, M; David, L N-substituted-5-substituted phthalamic acids as sortilin inhibitors US Patent  US9682967 Publication Date 6/20/2017 
Target
Name:
Sortilin
Synonyms:
Neurotensin receptor 3 | SORT1 | SORT_HUMAN
Type:
PROTEIN
Mol. Mass.:
92054.53
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1282402
Residue:
831
Sequence:
MERPWGAADGLSRWPHGLGLLLLLQLLPPSTLSQDRLDAPPPPAAPLPRWSGPIGVSWGLRAAAAGGAFPRGGRWRRSAPGEDEECGRVRDFVAKLANNTHQHVFDDLRGSVSLSWVGDSTGVILVLTTFHVPLVIMTFGQSKLYRSEDYGKNFKDITDLINNTFIRTEFGMAIGPENSGKVVLTAEVSGGSRGGRIFRSSDFAKNFVQTDLPFHPLTQMMYSPQNSDYLLALSTENGLWVSKNFGGKWEEIHKAVCLAKWGSDNTIFFTTYANGSCKADLGALELWRTSDLGKSFKTIGVKIYSFGLGGRFLFASVMADKDTTRRIHVSTDQGDTWSMAQLPSVGQEQFYSILAANDDMVFMHVDEPGDTGFGTIFTSDDRGIVYSKSLDRHLYTTTGGETDFTNVTSLRGVYITSVLSEDNSIQTMITFDQGGRWTHLRKPENSECDATAKNKNECSLHIHASYSISQKLNVPMAPLSEPNAVGIVIAHGSVGDAISVMVPDVYISDDGGYSWTKMLEGPHYYTILDSGGIIVAIEHSSRPINVIKFSTDEGQCWQTYTFTRDPIYFTGLASEPGARSMNISIWGFTESFLTSQWVSYTIDFKDILERNCEEKDYTIWLAHSTDPEDYEDGCILGYKEQFLRLRKSSVCQNGRDYVVTKQPSICLCSLEDFLCDFGYYRPENDSKCVEQPELKGHDLEFCLYGREEHLTTNGYRKIPGDKCQGGVNPVREVKDLKKKCTSNFLSPEKQNSKSNSVPIILAIVGLMLVTVVAGVLIVKKYVCGGRFLVHRYSVLQQHAEANGVDGVDALDTASHTNKSGYHDDSDEDLLE
  
Inhibitor
Name:
BDBM50445041
Synonyms:
CHEMBL3098768 | US10195186, Example 48 | US9682967, 46
Type:
Small organic molecule
Emp. Form.:
C18H15F3N2O3
Mol. Mass.:
364.3185
SMILES:
OC(=O)c1cc(ccc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F
Structure:
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