Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50257195
Substrate
n/a
Meas. Tech.
ChEMBL_562550 (CHEMBL1014542)
EC50
217±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:
BDBM50257195
Synonyms:
(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-5-guanidinopentanamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid | CHEMBL445035
Type:
Small organic molecule
Emp. Form.:
C40H65N11O7
Mol. Mass.:
812.0136
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@@H](N)CCCN=C(N)N)C(C)(C)C)C(O)=O |r,wU:42.45,8.8,wD:26.27,12.24,4.4,33.41,(12.82,-5.57,;12.82,-4.03,;14.19,-3.33,;11.52,-3.2,;11.59,-1.66,;10.3,-.82,;8.93,-1.54,;8.86,-3.07,;7.64,-.7,;6.27,-1.41,;4.97,-.57,;5.05,.97,;3.6,-1.29,;3.53,-2.82,;4.83,-3.66,;6.26,-3.09,;7.23,-4.28,;6.4,-5.58,;6.81,-7.06,;5.72,-8.15,;4.24,-7.76,;3.84,-6.27,;4.92,-5.19,;2.3,-.46,;.94,-1.17,;-.36,-.35,;.87,-2.73,;2.08,-3.68,;1.55,-5.11,;-0,-5.11,;-.42,-3.58,;-1.74,-2.8,;-1.73,-1.27,;-3.09,-3.56,;-3.1,-5.1,;-4.44,-5.87,;-4.45,-7.41,;-5.78,-8.17,;-5.8,-9.71,;-4.42,-2.79,;-5.76,-3.55,;-5.77,-5.08,;-7.09,-2.77,;-8.43,-3.52,;-7.09,-1.23,;-8.42,-.45,;-8.4,1.09,;-9.73,1.88,;-9.72,3.42,;-11.06,4.19,;-8.38,4.19,;7.72,.83,;7.7,2.39,;9.26,.81,;6.17,.87,;12.96,-.95,;14.25,-1.79,;13.04,.58,)|
Structure:
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