Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50257196
Substrate
n/a
Meas. Tech.
ChEMBL_562549 (CHEMBL1014541)
Ki
647±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:
BDBM50257196
Synonyms:
(S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-acetamido-5-guanidinopentanamido)-6-aminohexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid | CHEMBL500734
Type:
Small organic molecule
Emp. Form.:
C42H67N11O8
Mol. Mass.:
854.0503
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](CCCN=C(N)N)NC(C)=O)C(C)(C)C)C(O)=O |r,wU:42.52,8.8,wD:26.27,12.24,4.4,33.41,(40.23,-7.27,;40.23,-5.73,;41.6,-5.02,;38.93,-4.89,;39,-3.35,;37.71,-2.52,;36.34,-3.23,;36.27,-4.77,;35.05,-2.4,;33.68,-3.1,;32.38,-2.27,;32.46,-.73,;31.01,-2.98,;30.94,-4.52,;32.24,-5.35,;33.67,-4.79,;34.64,-5.98,;33.81,-7.27,;34.22,-8.76,;33.13,-9.85,;31.65,-9.45,;31.25,-7.97,;32.33,-6.89,;29.71,-2.15,;28.35,-2.87,;27.05,-2.04,;28.28,-4.42,;29.49,-5.38,;28.96,-6.8,;27.41,-6.8,;26.99,-5.28,;25.67,-4.5,;25.68,-2.96,;24.32,-5.25,;24.31,-6.8,;22.97,-7.57,;22.96,-9.11,;21.63,-9.87,;21.61,-11.41,;22.99,-4.48,;21.65,-5.25,;21.64,-6.78,;20.32,-4.47,;20.33,-2.93,;19,-2.14,;19.01,-.6,;17.68,.18,;17.69,1.72,;16.35,2.5,;19.03,2.49,;18.98,-5.22,;17.65,-4.44,;16.31,-5.2,;17.66,-2.9,;35.13,-.86,;35.12,.69,;36.67,-.89,;33.59,-.83,;40.37,-2.65,;41.66,-3.48,;40.45,-1.11,)|
Structure:
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