Reaction Details | |||
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Target | Neurotensin receptor type 1 | ||
Ligand | BDBM50257197 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_562549 (CHEMBL1014541) | ||
IC50 | 140±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 Chem52:1803-13 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Neurotensin receptor type 1 | |||
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: |
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BDBM50257197 | |||
n/a | |||
Name | BDBM50257197 | ||
Synonyms: | (S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-azido-5-guanidinopentanamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid | CHEMBL508380 | ||
Type | Small organic molecule | ||
Emp. Form. | C40H63N13O7 | ||
Mol. Mass. | 838.0111 | ||
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)N=[N+]=[N-])C(C)(C)C)C(O)=O |r,wU:42.52,8.8,wD:26.27,12.24,4.4,33.41,(41.33,-22.15,;41.33,-20.61,;42.7,-19.9,;40.04,-19.77,;40.11,-18.24,;38.81,-17.4,;37.45,-18.12,;37.38,-19.65,;36.15,-17.28,;34.78,-17.99,;33.49,-17.15,;33.56,-15.61,;32.11,-17.87,;32.05,-19.4,;33.34,-20.24,;34.77,-19.67,;35.75,-20.86,;34.92,-22.16,;35.32,-23.64,;34.24,-24.73,;32.75,-24.34,;32.35,-22.85,;33.43,-21.77,;30.82,-17.04,;29.45,-17.75,;28.16,-16.93,;29.38,-19.31,;30.6,-20.26,;30.06,-21.69,;28.51,-21.69,;28.09,-20.16,;26.77,-19.38,;26.78,-17.85,;25.42,-20.14,;25.41,-21.68,;24.08,-22.45,;24.06,-23.99,;22.73,-24.75,;22.71,-26.29,;24.09,-19.37,;22.76,-20.13,;22.74,-21.66,;21.43,-19.35,;21.43,-17.81,;20.1,-17.03,;20.11,-15.48,;18.79,-14.7,;18.8,-13.16,;17.46,-12.38,;20.13,-12.39,;20.08,-20.1,;18.75,-19.32,;17.41,-18.55,;36.23,-15.74,;36.22,-14.19,;37.77,-15.77,;34.69,-15.71,;41.48,-17.53,;42.77,-18.36,;41.55,-16,)| | ||
Structure |