Reaction Details  Report a problem with these data
Target
Sortilin
Ligand
BDBM50133188
Substrate
n/a
Meas. Tech.
ChEMBL_144311 (CHEMBL754356)
IC50
480±n/a nM
Citation
 Kokko, KP; Hadden, MK; Orwig, KS; Mazella, J; Dix, TA In vitro analysis of stable, receptor-selective neurotensin[8-13] analogues. J Med Chem 46:4141-8 (2003) [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:
BDBM50133188
Synonyms:
CHEMBL336836 | Compound KK17
Type:
Small organic molecule
Emp. Form.:
C40H68N12O8
Mol. Mass.:
845.0435
SMILES:
CCNC(N)=NCCC[C@H](N)C(=O)NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:16.16,5.5|
Structure:
Search PDB for entries with ligand similarity: