Reaction Details Report a problem with these data
Target
Neuromedin-U receptor 2
Ligand
BDBM50262116
Substrate
n/a
Meas. Tech.
ChEBML_1696564
EC50
1.8±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 2
Synonyms:
G-protein coupled receptor FM-4 | G-protein coupled receptor TGR-1 | NMU-R2 | NMU2R | NMU2R | NMUR2 | NMUR2_HUMAN | Neuromedin-U receptor 2 | TGR1
Type:
PROTEIN
Mol. Mass.:
47710.86
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103075
Residue:
415
Sequence:
MSGMEKLQNASWIYQQKLEDPFQKHLNSTEEYLAFLCGPRRSHFFLPVSVVYVPIFVVGVIGNVLVCLVILQHQAMKTPTNYYLFSLAVSDLLVLLLGMPLEVYEMWRNYPFLFGPVGCYFKTALFETVCFASILSITTVSVERYVAILHPFRAKLQSTRRRALRILGIVWGFSVLFSLPNTSIHGIKFHYFPNGSLVPGSATCTVIKPMWIYNFIIQVTSFLFYLLPMTVISVLYYLMALRLKKDKSLEADEGNANIQRPCRKSVNKMLFVLVLVFAICWAPFHIDRLFFSFVEEWSESLAAVFNLVHVVSGVFFYLSSAVNPIIYNLLSRRFQAAFQNVISSFHKQWHSQHDPQLPPAQRNIFLTECHFVELTEDIGPQFPCQSSMHNSHLPAALSSEQMSRTNYQSFHFNKT
  
Inhibitor
Name:
BDBM50262116
Synonyms:
CHEMBL4060830
Type:
Small organic molecule
Emp. Form.:
C92H151N19O22
Mol. Mass.:
1875.2974
SMILES:
CCCCCCCCCCCC(=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(C)(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:110.114,92.95,18.21,wD:24.25,106.110,122.126,52.52,76.78,15.14,(.66,-48.41,;1.99,-49.18,;3.32,-48.41,;4.66,-49.18,;6,-48.41,;7.33,-49.18,;8.67,-48.41,;10,-49.18,;11.33,-48.41,;12.67,-49.18,;14,-48.41,;15.34,-49.18,;15.34,-50.73,;16.68,-48.41,;18.01,-49.18,;19.35,-48.42,;20.68,-49.2,;22.02,-48.44,;22.01,-46.9,;20.69,-46.12,;19.36,-46.88,;23.35,-46.13,;23.35,-44.6,;24.68,-46.91,;26.01,-46.14,;27.35,-46.91,;28.68,-46.15,;30.02,-46.92,;30.01,-48.46,;31.35,-46.16,;32.69,-46.92,;34.02,-46.15,;35.35,-46.92,;36.68,-46.15,;38.02,-46.92,;39.35,-46.15,;40.68,-46.92,;42.01,-46.15,;43.34,-46.92,;44.67,-46.15,;46.01,-46.92,;47.34,-46.15,;48.67,-46.92,;50,-46.15,;51.33,-46.92,;51.33,-48.46,;52.66,-46.15,;54,-46.9,;55.32,-46.12,;56.66,-46.87,;56.68,-48.41,;57.99,-46.09,;59.32,-46.86,;59.33,-48.4,;60.66,-49.17,;61.99,-48.4,;63.33,-49.17,;63.33,-50.71,;64.67,-51.45,;61.99,-51.48,;60.66,-50.71,;60.66,-46.09,;60.66,-44.55,;61.99,-46.86,;63.33,-46.09,;61.99,-45.32,;63.33,-44.55,;64.66,-43.78,;66,-44.56,;67.33,-43.79,;67.33,-42.25,;65.99,-41.47,;64.66,-42.25,;64.66,-46.86,;64.66,-48.41,;65.99,-46.09,;67.33,-46.86,;67.33,-48.4,;68.66,-49.17,;70,-48.4,;68.66,-50.72,;68.66,-46.09,;68.66,-44.56,;70.02,-46.84,;71.37,-46.09,;72.71,-46.86,;72.71,-48.39,;74.04,-49.16,;74.04,-50.7,;71.37,-44.55,;70.04,-43.78,;72.71,-43.76,;72.7,-42.21,;71.36,-41.44,;71.36,-39.9,;72.7,-39.13,;72.71,-37.58,;74.05,-36.81,;75.39,-37.57,;74.05,-35.26,;74.03,-41.44,;74.03,-39.9,;75.37,-42.21,;75.52,-43.74,;77.03,-44.05,;77.8,-42.71,;76.77,-41.58,;77.09,-40.07,;75.94,-39.04,;78.56,-39.58,;78.6,-38.03,;77.29,-37.23,;77.33,-35.69,;76.02,-34.89,;76.06,-33.34,;74.74,-32.52,;74.78,-30.99,;73.38,-33.25,;72.08,-32.44,;79.95,-37.3,;81.26,-38.11,;79.99,-35.75,;81.36,-35.02,;82.67,-35.82,;84.02,-35.09,;84.07,-33.55,;85.33,-35.9,;81.4,-33.47,;80.09,-32.67,;82.75,-32.74,;26.02,-44.6,;27.35,-43.83,;24.68,-43.82,)|
Structure:
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