Reaction Details  Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50563029
Substrate
n/a
Meas. Tech.
ChEMBL_2081405 (CHEMBL4737196)
Ki
3500±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 1
Synonyms:
Dopamine receptor D2L/neurotensin receptor NTS1 | NTR1_HUMAN | NTRR | NTSR1 | Neurotensin receptor 1 | neurotensin receptor type 1
Type:
PROTEIN
Mol. Mass.:
46278.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1453811
Residue:
418
Sequence:
MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
  
Inhibitor
Name:
BDBM50563029
Synonyms:
CHEMBL4762781
Type:
Small organic molecule
Emp. Form.:
C42H64N12O9
Mol. Mass.:
881.0326
SMILES:
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O |r|
Structure:
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