Reaction Details Report a problem with these data
Target
Neuromedin-U receptor 2
Ligand
BDBM50262111
Substrate
n/a
Meas. Tech.
ChEBML_1696564
EC50
2.0±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:
BDBM50262111
Synonyms:
CHEMBL4081819
Type:
Small organic molecule
Emp. Form.:
C96H165N19O22
Mol. Mass.:
1937.4514
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)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O |r,wU:115.119,97.100,24.27,wD:30.31,111.115,126.130,58.58,81.83,21.20,(-30.8,-31.53,;-29.47,-32.3,;-28.14,-31.54,;-26.8,-32.32,;-25.47,-31.54,;-24.13,-32.32,;-22.79,-31.54,;-21.47,-32.32,;-20.13,-31.54,;-18.79,-32.32,;-17.46,-31.54,;-16.12,-32.32,;-14.79,-31.54,;-13.45,-32.32,;-12.12,-31.54,;-10.79,-32.32,;-9.45,-31.54,;-8.12,-32.32,;-8.13,-33.86,;-6.79,-31.54,;-5.45,-32.31,;-4.11,-31.55,;-2.78,-32.33,;-1.44,-31.57,;-1.45,-30.03,;-2.78,-29.26,;-4.11,-30.02,;-.12,-29.26,;-.11,-27.73,;1.22,-30.04,;2.56,-29.27,;3.89,-30.05,;5.23,-29.28,;6.56,-30.06,;6.56,-31.6,;7.9,-29.29,;9.23,-30.05,;10.57,-29.28,;11.89,-30.05,;13.23,-29.28,;14.56,-30.05,;15.9,-29.28,;17.22,-30.05,;18.56,-29.28,;19.88,-30.05,;21.22,-29.28,;22.55,-30.05,;23.89,-29.28,;25.21,-30.05,;26.55,-29.28,;27.87,-30.05,;27.87,-31.59,;29.21,-29.28,;30.55,-30.04,;31.87,-29.25,;33.21,-30,;33.23,-31.54,;34.53,-29.22,;35.87,-29.99,;35.87,-31.53,;37.2,-32.3,;38.54,-31.54,;39.87,-32.3,;39.88,-33.84,;41.22,-34.58,;38.53,-34.61,;37.21,-33.84,;37.21,-29.22,;37.2,-27.68,;38.53,-29.99,;39.88,-29.22,;39.87,-27.68,;41.21,-26.92,;42.54,-27.69,;43.88,-26.92,;43.88,-25.38,;42.54,-24.6,;41.21,-25.38,;41.2,-29.99,;41.21,-31.54,;42.54,-29.22,;43.87,-29.99,;43.88,-31.53,;45.21,-32.3,;46.54,-31.53,;45.21,-33.85,;45.21,-29.23,;45.21,-27.69,;46.56,-29.97,;47.91,-29.22,;49.25,-29.99,;49.25,-31.53,;50.58,-32.3,;50.58,-33.83,;47.91,-27.68,;46.58,-26.91,;49.25,-26.89,;49.25,-25.34,;47.91,-24.57,;47.91,-23.03,;49.25,-22.26,;49.25,-20.71,;50.6,-19.94,;51.93,-20.7,;50.6,-18.39,;50.58,-24.57,;50.58,-23.03,;51.91,-25.34,;52.07,-26.87,;53.57,-27.18,;54.34,-25.85,;53.31,-24.71,;53.64,-23.2,;52.49,-22.17,;55.11,-22.71,;55.15,-21.17,;53.84,-20.36,;53.88,-18.82,;52.56,-18.02,;52.6,-16.47,;51.29,-15.66,;49.93,-16.38,;51.33,-14.12,;56.5,-20.43,;57.8,-21.24,;56.54,-18.89,;57.9,-18.15,;59.22,-18.95,;60.57,-18.22,;60.62,-16.69,;61.88,-19.03,;57.94,-16.61,;56.64,-15.8,;59.29,-15.88,;2.56,-27.73,;3.9,-26.97,;1.23,-26.95,)|
Structure:
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