Reaction Details Report a problem with these data
Target
Sortilin
Ligand
BDBM50249496
Substrate
n/a
Meas. Tech.
ChEBML_1680033
IC50
63096±n/a nM
Citation
 Andersen, JL; Lindberg, S; Langgård, M; Maltas, PJ; Rønn, LCB; Bundgaard, C; Strandbygaard, D; Thirup, S; Watson, SP The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Bioorg Med Chem Lett 27:2629-2633 (2017) [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:
BDBM50249496
Synonyms:
CHEMBL4081301
Type:
Small organic molecule
Emp. Form.:
C7H13N3O
Mol. Mass.:
155.1976
SMILES:
CC(C)CCN1CC(=O)N=N1 |c:9|
Structure:
Search PDB for entries with ligand similarity: