Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50257199
Substrate
n/a
Meas. Tech.
ChEMBL_562549 (CHEMBL1014541)
Ki
631±n/a nM
Citation
 Orwig, KS; Lassetter, MR; Hadden, MK; Dix, TA Comparison of N-terminal modifications on neurotensin(8-13) analogues correlates peptide stability but not binding affinity with in vivo efficacy. J Med Chem 52:1803-13 (2009) [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:
BDBM50257199
Synonyms:
(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-(5-guanidinopentanamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid | CHEMBL500173
Type:
Small organic molecule
Emp. Form.:
C40H64N10O7
Mol. Mass.:
796.999
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCN=C(N)N)C(C)(C)C)C(O)=O |r,wU:8.8,wD:26.27,12.24,4.4,33.41,(40.62,-38.86,;40.62,-37.31,;41.99,-36.61,;39.33,-36.48,;39.39,-34.94,;38.1,-34.11,;36.73,-34.82,;36.67,-36.36,;35.44,-33.99,;34.07,-34.69,;32.78,-33.86,;32.85,-32.32,;31.4,-34.57,;31.33,-36.11,;32.63,-36.94,;34.06,-36.38,;35.04,-37.57,;34.2,-38.86,;34.61,-40.35,;33.53,-41.44,;32.04,-41.04,;31.64,-39.56,;32.72,-38.48,;30.1,-33.74,;28.74,-34.46,;27.45,-33.63,;28.67,-36.01,;29.89,-36.97,;29.35,-38.39,;27.8,-38.39,;27.38,-36.87,;26.06,-36.09,;26.07,-34.55,;24.71,-36.84,;24.7,-38.39,;23.36,-39.16,;23.35,-40.7,;22.02,-41.46,;22,-43,;23.38,-36.07,;22.04,-36.84,;22.03,-38.37,;20.71,-36.06,;20.72,-34.52,;19.39,-33.73,;19.4,-32.19,;18.07,-31.41,;18.09,-29.87,;16.76,-29.1,;19.42,-29.11,;35.52,-32.45,;35.51,-30.9,;37.06,-32.48,;33.98,-32.42,;40.76,-34.24,;42.05,-35.07,;40.84,-32.7,)|
Structure:
Search PDB for entries with ligand similarity: