Reaction Details Report a problem with these data
Target
Neuromedin-U receptor 1
Ligand
BDBM50262117
Substrate
n/a
Meas. Tech.
ChEBML_1696565
EC50
>1000±n/a nM
Citation
 Nishizawa, N; Kanematsu-Yamaki, Y; Funata, M; Nagai, H; Shimizu, A; Fujita, H; Sakamoto, J; Takekawa, S; Asami, T A potent neuromedin U receptor 2-selective alkylated peptide. Bioorg Med Chem Lett 27:4626-4629 (2017) [PubMed]  Article 
Target
Name:
Neuromedin-U receptor 1
Synonyms:
G-protein coupled receptor 66 | G-protein coupled receptor FM-3 | Gpr66 | NMU-R1 | NMUR1_MOUSE | Nmur1
Type:
n/a
Mol. Mass.:
47951.94
Organism:
Mus musculus
Description:
n/a
Residue:
428
Sequence:
MTPPCLNCSIFPGALSPNASRSPLVCNISEFKWPYQPEDLNLTDEALRLKYLGPQQMKQFVPICVTYLLIFVVGTLGNGLTCTVILRNKTMRTPTNFYLFSLAVSDMLVLLVGLPLELYEMQQNYPFQLGASACYFRILLLETVCLASVLNVTALSVERYVAVVRPLQAKSVMTRAHVRRMVGAIWVLATLFSLPNTSLHGLSQLTVPCRGPVPDSAICSLVGPMDFYKLVVLTTALLFFCLPMVTISVLYLLIGLRLRRERMLLQVEVKGRKTAATQETSHRRIQLQDRGRRQVTKMLFALVVVFGICWAPFHADRIMWSLVYGHSTEGLHLAYQCVHIASGIFFYLGSAANPVLYSLMSTRFRETFLQALGLGTQCCHRRQPYHGSHNHIRLTTGSTLCDVGHRNSRDEPLAVNEDPGCQQETDPS
  
Inhibitor
Name:
BDBM50262117
Synonyms:
CHEMBL4067577
Type:
Small organic molecule
Emp. Form.:
C82H131N19O22
Mol. Mass.:
1735.0316
SMILES:
CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O |r,wU:103.107,85.88,68.69,wD:64.65,99.103,115.119,28.38,8.12,71.73,(74.22,-35,;74.23,-33.46,;72.89,-32.69,;72.9,-31.15,;71.55,-30.38,;70.2,-31.14,;68.85,-30.39,;68.85,-28.85,;67.51,-31.16,;67.52,-32.7,;68.85,-33.46,;70.18,-32.7,;68.85,-35.01,;66.18,-30.39,;64.84,-31.15,;64.84,-32.7,;63.52,-30.39,;62.17,-29.61,;63.51,-28.85,;64.85,-28.08,;66.18,-28.85,;67.52,-28.08,;67.52,-26.54,;66.18,-25.77,;64.85,-26.54,;62.17,-31.15,;60.85,-30.38,;60.84,-28.84,;59.51,-31.16,;59.51,-32.7,;60.84,-33.47,;62.17,-32.7,;63.51,-33.47,;63.51,-35.01,;64.86,-35.75,;62.17,-35.77,;60.84,-35.01,;58.17,-30.38,;56.85,-31.17,;56.87,-32.7,;55.51,-30.41,;54.19,-31.2,;52.84,-30.45,;51.51,-31.22,;51.51,-32.75,;50.18,-30.45,;48.85,-31.22,;47.52,-30.45,;46.19,-31.22,;44.85,-30.45,;43.52,-31.22,;42.19,-30.45,;40.86,-31.22,;39.53,-30.45,;38.19,-31.22,;36.86,-30.45,;35.53,-31.22,;34.2,-30.45,;32.86,-31.22,;31.53,-30.45,;30.2,-31.22,;30.19,-32.76,;28.86,-30.44,;27.52,-31.21,;26.19,-30.43,;24.85,-31.2,;23.52,-30.43,;23.52,-28.89,;22.19,-31.19,;22.19,-32.73,;20.85,-33.49,;19.52,-32.72,;18.19,-33.48,;16.86,-32.71,;15.51,-33.48,;14.18,-32.7,;15.51,-35.03,;19.53,-31.18,;20.86,-30.42,;26.19,-28.89,;27.53,-28.13,;24.86,-28.12,;71.55,-28.84,;70.22,-28.07,;72.89,-28.05,;72.89,-26.5,;71.55,-25.73,;71.55,-24.19,;72.89,-23.42,;72.89,-21.87,;74.24,-21.1,;75.57,-21.86,;74.24,-19.56,;74.22,-25.73,;74.22,-24.19,;75.55,-26.5,;75.71,-28.03,;77.21,-28.34,;77.99,-27.01,;76.95,-25.88,;77.28,-24.37,;76.13,-23.33,;78.75,-23.88,;78.79,-22.33,;77.48,-21.53,;77.52,-19.98,;76.2,-19.18,;76.24,-17.63,;74.93,-16.82,;74.97,-15.28,;73.57,-17.55,;72.26,-16.74,;80.14,-21.6,;81.45,-22.4,;80.18,-20.05,;81.54,-19.31,;82.86,-20.11,;84.21,-19.38,;84.26,-17.85,;85.52,-20.19,;81.59,-17.77,;80.28,-16.96,;82.93,-17.04,)|
Structure:
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