Reaction Details
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Neuromedin-U receptor 2
Ligand
BDBM50262112
Substrate
n/a
Meas. Tech.
ChEBML_1696566
EC50
0.750000±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 More Info.:
Target
Name:
Neuromedin-U receptor 2
Synonyms:
NMU-R2 | NMUR2_MOUSE | Neuromedin-U receptor 2 | Nmur2
Type:
PROTEIN
Mol. Mass.:
44839.20
Organism:
Mus musculus
Description:
ChEMBL_109541
Residue:
395
Sequence:
MGKLENASWIHDSLMKYLNSTEEYLAYLCGPKRSDLSLPVSVVYALIFVVGVIGNLLVCLVIARHQTLKTPTNYYLFSLAVSDLLVLLLGMPLEVYELWHNYPFLFGPVGCYFKTALFETVCFASILSVTTVSIERYVAIVHPFRAKLESTRRRALRILSLVWSFSVVFSLPNTSIHGIKFQQFPNGSSVPGSATCTVTKPIWVYNFIIQATSFLFYILPMTLISVLYYLMGLRLKRDESLEADKVTVNIHRPSRKSVTKMLFVLVLVFAICWTPFHVDRLFFSFVDEWTESLAAVFNLIHVVSGVFFYLSSAVNPIIYNLLSRRFRAAFRNVVSPSCKWCHPQHRPQGPPAQKVIFLTECHLVELTEDAGPQFPCQSSIHNTQLTTVPCVEEVP
Inhibitor
Name:
BDBM50262112
Synonyms:
CHEMBL4092080
Type:
Small organic molecule
Emp. Form.:
C97H167N19O22
Mol. Mass.:
1951.478
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)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)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,127.131,58.58,81.83,21.20,(-22.42,-49.58,;-21.1,-50.35,;-19.76,-49.58,;-18.42,-50.36,;-17.09,-49.58,;-15.75,-50.36,;-14.42,-49.58,;-13.09,-50.36,;-11.75,-49.58,;-10.42,-50.36,;-9.08,-49.58,;-7.74,-50.36,;-6.41,-49.58,;-5.07,-50.36,;-3.74,-49.58,;-2.41,-50.36,;-1.07,-49.58,;.26,-50.36,;.26,-51.91,;1.61,-49.59,;2.94,-50.36,;4.27,-49.6,;5.6,-50.37,;6.94,-49.61,;6.94,-48.08,;5.61,-47.3,;4.29,-48.06,;8.27,-47.31,;8.27,-45.77,;9.6,-48.08,;10.94,-47.31,;12.27,-48.09,;13.61,-47.32,;14.94,-48.1,;14.94,-49.64,;16.28,-47.33,;17.61,-48.1,;18.95,-47.33,;20.27,-48.1,;21.61,-47.33,;22.94,-48.1,;24.28,-47.33,;25.6,-48.1,;26.94,-47.33,;28.26,-48.1,;29.6,-47.33,;30.93,-48.1,;32.27,-47.33,;33.59,-48.1,;34.93,-47.33,;36.26,-48.1,;36.26,-49.63,;37.59,-47.33,;38.93,-48.08,;40.25,-47.3,;41.59,-48.05,;41.61,-49.58,;42.92,-47.26,;44.25,-48.04,;44.26,-49.58,;45.58,-50.35,;46.92,-49.58,;48.25,-50.35,;48.26,-51.89,;49.6,-52.63,;46.92,-52.65,;45.59,-51.89,;45.59,-47.27,;45.59,-45.72,;46.92,-48.03,;48.26,-47.27,;48.26,-45.73,;49.59,-44.96,;50.92,-45.73,;52.26,-44.96,;52.26,-43.43,;50.92,-42.65,;49.59,-43.42,;49.59,-48.03,;49.59,-49.58,;50.92,-47.27,;52.26,-48.04,;52.26,-49.58,;53.59,-50.34,;54.93,-49.58,;53.59,-51.89,;53.59,-47.27,;53.59,-45.73,;54.95,-48.02,;56.3,-47.26,;57.64,-48.03,;57.64,-49.57,;58.97,-50.34,;58.97,-51.88,;56.3,-45.73,;54.97,-44.95,;57.64,-44.93,;57.63,-43.38,;56.29,-42.61,;56.29,-41.07,;57.63,-40.3,;57.64,-38.75,;58.98,-37.98,;60.32,-38.75,;58.98,-36.44,;58.96,-42.61,;58.96,-41.08,;60.3,-43.38,;60.46,-44.91,;61.96,-45.22,;62.73,-43.89,;61.7,-42.76,;62.02,-41.25,;60.87,-40.21,;63.49,-40.76,;63.53,-39.21,;62.22,-38.41,;62.26,-36.86,;60.95,-36.06,;60.99,-34.51,;59.67,-33.7,;59.71,-32.16,;58.31,-34.43,;57.01,-33.62,;64.88,-38.48,;66.19,-39.29,;64.92,-36.93,;66.29,-36.2,;67.6,-37,;68.95,-36.27,;69,-34.73,;70.26,-37.07,;66.33,-34.65,;65.02,-33.84,;67.68,-33.92,;10.94,-45.77,;12.28,-45.01,;9.61,-45,)|
Structure:
