Reaction Details  Report a problem with these data
Target
Neurotensin receptor type 2
Ligand
BDBM50563016
Substrate
n/a
Meas. Tech.
ChEMBL_2081372 (CHEMBL4737163)
Ki
1300±n/a nM
Citation
 Chartier, M; Desgagné, M; Sousbie, M; Côté, J; Longpré, JM; Marsault, E; Sarret, P Design, Structural Optimization, and Characterization of the First Selective Macrocyclic Neurotensin Receptor Type 2 Non-opioid Analgesic. J Med Chem 64:2110-2124 (2021) [PubMed]  Article
Target
Name:
Neurotensin receptor type 2
Synonyms:
Levocabastine-sensitive neurotensin receptor | NT-R-2 | NTR2 | NTR2 receptor | NTR2_HUMAN | NTSR2 | Neurotensin receptor | Neurotensin receptor 2 | Neurotensin receptor type 2
Type:
PROTEIN
Mol. Mass.:
45404.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1281495
Residue:
410
Sequence:
METSSPRPPRPSSNPGLSLDARLGVDTRLWAKVLFTALYALIWALGAAGNALSAHVVLKARAGRAGRLRHHVLSLALAGLLLLLVGVPVELYSFVWFHYPWVFGDLGCRGYYFVHELCAYATVLSVAGLSAERCLAVCQPLRARSLLTPRRTRWLVALSWAASLGLALPMAVIMGQKHELETADGEPEPASRVCTVLVSRTALQVFIQVNVLVSFVLPLALTAFLNGVTVSHLLALCSQVPSTSTPGSSTPSRLELLSEEGLLSFIVWKKTFIQGGQVSLVRHKDVRRIRSLQRSVQVLRAIVVMYVICWLPYHARRLMYCYVPDDAWTDPLYNFYHYFYMVTNTLFYVSSAVTPLLYNAVSSSFRKLFLEAVSSLCGEHHPMKRLPPKPQSPTLMDTASGFGDPPETRT
  
Inhibitor
Name:
BDBM50563016
Synonyms:
CHEMBL4760222
Type:
Small organic molecule
Emp. Form.:
C41H67N9O9
Mol. Mass.:
830.0256
SMILES:
CC[C@@H](C)[C@H](NC(=O)[C@@H]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:10|
Structure:
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