Reaction Details Report a problem with these data
Target
Sortilin
Ligand
BDBM50445058
Substrate
n/a
Meas. Tech.
ChEMBL_1282402 (CHEMBL3100581)
IC50
710±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:
Human
Description:
ChEMBL_1282402
Residue:
831
Sequence:
MERPWGAADGLSRWPHGLGLLLLLQLLPPSTLSQDRLDAPPPPAAPLPRWSGPIGVSWGLRAAAAGGAFPRGGRWRRSAPGEDEECGRVRDFVAKLANNTHQHVFDDLRGSVSLSWVGDSTGVILVLTTFHVPLVIMTFGQSKLYRSEDYGKNFKDITDLINNTFIRTEFGMAIGPENSGKVVLTAEVSGGSRGGRIFRSSDFAKNFVQTDLPFHPLTQMMYSPQNSDYLLALSTENGLWVSKNFGGKWEEIHKAVCLAKWGSDNTIFFTTYANGSCKADLGALELWRTSDLGKSFKTIGVKIYSFGLGGRFLFASVMADKDTTRRIHVSTDQGDTWSMAQLPSVGQEQFYSILAANDDMVFMHVDEPGDTGFGTIFTSDDRGIVYSKSLDRHLYTTTGGETDFTNVTSLRGVYITSVLSEDNSIQTMITFDQGGRWTHLRKPENSECDATAKNKNECSLHIHASYSISQKLNVPMAPLSEPNAVGIVIAHGSVGDAISVMVPDVYISDDGGYSWTKMLEGPHYYTILDSGGIIVAIEHSSRPINVIKFSTDEGQCWQTYTFTRDPIYFTGLASEPGARSMNISIWGFTESFLTSQWVSYTIDFKDILERNCEEKDYTIWLAHSTDPEDYEDGCILGYKEQFLRLRKSSVCQNGRDYVVTKQPSICLCSLEDFLCDFGYYRPENDSKCVEQPELKGHDLEFCLYGREEHLTTNGYRKIPGDKCQGGVNPVREVKDLKKKCTSNFLSPEKQNSKSNSVPIILAIVGLMLVTVVAGVLIVKKYVCGGRFLVHRYSVLQQHAEANGVDGVDALDTASHTNKSGYHDDSDEDLLE
  
Inhibitor
Name:
BDBM50445058
Synonyms:
CHEMBL3098741 | US10195186, Example 2 | US9682967, 2
Type:
Small organic molecule
Emp. Form.:
C14H11BrN2O3
Mol. Mass.:
335.153
SMILES:
Cc1cccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1
Structure:
Search PDB for entries with ligand similarity: