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Target
Sortilin
Ligand
BDBM50445041
Substrate
n/a
Meas. Tech.
ChEMBL_1282402 (CHEMBL3100581)
IC50
100±n/a nM
Citation
 Schrøder, TJ; Christensen, S; Lindberg, S; Langgård, M; David, L; Maltas, PJ; Eskildsen, J; Jacobsen, J; Tagmose, L; Simonsen, KB; Biilmann Rønn, LC; de Jong, IE; Malik, IJ; Karlsson, JJ; Bundgaard, C; Egebjerg, J; Stavenhagen, JB; Strandbygård, D; Thirup, S; Andersen, JL; Uppalanchi, S; Pervaram, S; Kasturi, SP; Eradi, P; Sakumudi, DR; Watson, SP The identification of AF38469: an orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin. Bioorg Med Chem Lett 24:177-80 (2013) [PubMed]  Article 
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:
Search PDB for entries with ligand similarity: