Reaction Details Report a problem with these data
Target
Neuromedin-U receptor 2
Ligand
BDBM50262098
Substrate
n/a
Meas. Tech.
ChEBML_1696564
EC50
0.800000±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:
BDBM50262098
Synonyms:
CHEMBL4061906
Type:
Small organic molecule
Emp. Form.:
C96H159N19O22
Mol. Mass.:
1931.4038
SMILES:
CCCCCCCCCCCCCCCC(=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:114.118,96.99,22.25,wD:28.29,110.114,126.130,56.56,80.82,19.18,(-3.16,-27.74,;-1.83,-28.52,;-.49,-27.74,;.85,-28.52,;2.18,-27.74,;3.51,-28.52,;4.85,-27.74,;6.18,-28.52,;7.52,-27.74,;8.85,-28.52,;10.19,-27.74,;11.53,-28.52,;12.85,-27.74,;14.19,-28.52,;15.52,-27.74,;16.86,-28.52,;16.86,-30.06,;18.2,-27.75,;19.53,-28.52,;20.87,-27.76,;22.2,-28.53,;23.54,-27.77,;23.53,-26.23,;22.21,-25.46,;20.88,-26.22,;24.87,-25.47,;24.87,-23.93,;26.2,-26.24,;27.53,-25.47,;28.87,-26.25,;30.2,-25.48,;31.54,-26.26,;31.53,-27.8,;32.88,-25.49,;34.21,-26.25,;35.54,-25.49,;36.87,-26.25,;38.2,-25.49,;39.54,-26.25,;40.87,-25.49,;42.2,-26.25,;43.53,-25.49,;44.86,-26.25,;46.19,-25.49,;47.53,-26.25,;48.86,-25.49,;50.19,-26.25,;51.52,-25.49,;52.85,-26.25,;52.85,-27.79,;54.18,-25.49,;55.53,-26.24,;56.85,-25.45,;58.19,-26.2,;58.21,-27.74,;59.51,-25.42,;60.85,-26.2,;60.85,-27.74,;62.18,-28.5,;63.51,-27.74,;64.85,-28.51,;64.85,-30.05,;66.19,-30.79,;63.51,-30.81,;62.18,-30.04,;62.18,-25.42,;62.18,-23.88,;63.51,-26.19,;64.85,-25.42,;63.51,-24.65,;64.85,-23.88,;66.18,-23.12,;67.52,-23.89,;68.85,-23.12,;68.85,-21.58,;67.52,-20.81,;66.18,-21.58,;66.18,-26.19,;66.18,-27.74,;67.52,-25.43,;68.85,-26.19,;68.86,-27.73,;70.18,-28.5,;71.52,-27.74,;70.18,-30.05,;70.19,-25.43,;70.19,-23.89,;71.54,-26.18,;72.89,-25.42,;74.23,-26.19,;74.23,-27.73,;75.56,-28.5,;75.56,-30.04,;72.89,-23.88,;71.56,-23.11,;74.23,-23.09,;74.23,-21.54,;72.88,-20.77,;72.89,-19.23,;74.22,-18.46,;74.23,-16.91,;75.57,-16.14,;76.91,-16.91,;75.58,-14.6,;75.55,-20.77,;75.56,-19.23,;76.89,-21.54,;77.05,-23.07,;78.55,-23.38,;79.32,-22.05,;78.29,-20.92,;78.61,-19.41,;77.46,-18.37,;80.08,-18.92,;80.12,-17.37,;78.81,-16.57,;78.86,-15.02,;77.54,-14.22,;77.58,-12.67,;76.26,-11.86,;76.3,-10.32,;74.91,-12.59,;73.6,-11.78,;81.47,-16.64,;82.78,-17.44,;81.51,-15.09,;82.88,-14.36,;84.2,-15.16,;85.54,-14.42,;85.59,-12.89,;86.85,-15.23,;82.92,-12.81,;81.61,-12,;84.27,-12.08,;27.54,-23.93,;28.87,-23.17,;26.2,-23.16,)|
Structure:
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