Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50502381
Substrate
n/a
Meas. Tech.
ChEMBL_1807457 (CHEMBL4306816)
Ki
18±n/a nM
Citation
 Schindler, L; Bernhardt, G; Keller, M Modifications at Arg and Ile Give Neurotensin(8-13) Derivatives with High Stability and Retained NTS ACS Med Chem Lett 10:960-965 (2019) [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:
BDBM50502381
Synonyms:
CHEMBL4567672
Type:
Small organic molecule
Emp. Form.:
C45H70F6N12O13
Mol. Mass.:
1101.1003
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: