Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50257198
Substrate
n/a
Meas. Tech.
ChEMBL_562549 (CHEMBL1014541)
Ki
2170±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:
BDBM50257198
Synonyms:
(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-5-guanidino-2-methylpentanamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid | CHEMBL501956
Type:
Small organic molecule
Emp. Form.:
C41H67N11O7
Mol. Mass.:
826.0402
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)[C@@](C)(N)CCCN=C(N)N)C(C)(C)C)C(O)=O |r,wU:42.46,8.8,wD:26.27,42.45,12.24,4.4,33.41,(12.05,-38.34,;12.05,-36.8,;13.42,-36.1,;10.76,-35.96,;10.82,-34.42,;9.53,-33.59,;8.17,-34.3,;8.1,-35.83,;6.87,-33.46,;5.5,-34.17,;4.21,-33.33,;4.29,-31.8,;2.84,-34.05,;2.77,-35.59,;4.07,-36.43,;5.49,-35.86,;6.47,-37.05,;5.65,-38.34,;6.05,-39.83,;4.97,-40.92,;3.48,-40.53,;3.07,-39.04,;4.15,-37.96,;1.54,-33.22,;.17,-33.93,;-1.12,-33.11,;.11,-35.49,;1.32,-36.45,;.79,-37.87,;-.77,-37.87,;-1.18,-36.35,;-2.51,-35.56,;-2.5,-34.03,;-3.85,-36.32,;-3.86,-37.86,;-5.2,-38.64,;-5.21,-40.18,;-6.55,-40.94,;-6.56,-42.47,;-5.18,-35.55,;-6.52,-36.31,;-6.53,-37.84,;-7.85,-35.53,;-8.62,-36.87,;-9.19,-34.75,;-7.08,-34.2,;-7.85,-32.86,;-7.08,-31.53,;-7.84,-30.2,;-7.07,-28.86,;-7.85,-27.51,;-5.52,-28.85,;6.95,-31.92,;6.94,-30.37,;8.49,-31.95,;5.41,-31.89,;12.2,-33.72,;13.49,-34.55,;12.27,-32.18,)|
Structure:
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