Reaction Details Report a problem with these data
Target
Neuromedin-U receptor 2
Ligand
BDBM50262119
Substrate
n/a
Meas. Tech.
ChEBML_1696564
EC50
3.0±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:
BDBM50262119
Synonyms:
CHEMBL4097408
Type:
Small organic molecule
Emp. Form.:
C101H155N19O22
Mol. Mass.:
1987.4255
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)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)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:120.126,68.69,102.107,22.25,wD:28.29,116.122,131.137,56.56,91.95,83.86,19.18,(-13.73,-45.46,;-12.39,-46.23,;-11.06,-45.46,;-9.72,-46.23,;-8.39,-45.46,;-7.06,-46.23,;-5.72,-45.46,;-4.39,-46.23,;-3.05,-45.46,;-1.72,-46.23,;-.38,-45.46,;.96,-46.23,;2.28,-45.46,;3.62,-46.23,;4.95,-45.46,;6.29,-46.23,;6.29,-47.78,;7.63,-45.46,;8.96,-46.23,;10.3,-45.47,;11.63,-46.25,;12.97,-45.48,;12.96,-43.95,;11.64,-43.17,;10.31,-43.93,;14.3,-43.18,;14.3,-41.64,;15.63,-43.95,;16.96,-43.19,;18.3,-43.96,;19.63,-43.2,;20.97,-43.97,;20.96,-45.51,;22.31,-43.21,;23.64,-43.97,;24.97,-43.2,;26.3,-43.97,;27.63,-43.2,;28.97,-43.97,;30.3,-43.2,;31.63,-43.97,;32.96,-43.2,;34.29,-43.97,;35.62,-43.2,;36.96,-43.97,;38.29,-43.2,;39.62,-43.97,;40.95,-43.2,;42.28,-43.97,;42.28,-45.51,;43.61,-43.2,;44.96,-43.95,;46.28,-43.17,;47.62,-43.92,;47.64,-45.46,;48.94,-43.13,;50.27,-43.91,;50.28,-45.45,;51.61,-46.22,;52.94,-45.45,;54.28,-46.22,;54.28,-47.76,;55.62,-48.5,;52.94,-48.53,;51.61,-47.76,;51.61,-43.14,;51.61,-41.6,;52.94,-43.9,;54.28,-43.14,;54.28,-41.6,;55.61,-40.83,;56.95,-41.6,;58.28,-40.83,;58.28,-39.3,;59.62,-38.53,;59.62,-36.99,;58.28,-36.22,;56.95,-36.99,;56.95,-38.52,;55.61,-39.3,;55.61,-43.91,;55.61,-45.45,;56.94,-43.14,;58.28,-43.91,;58.28,-45.45,;59.61,-46.22,;60.95,-45.45,;59.61,-47.76,;59.61,-43.14,;59.62,-41.61,;60.97,-43.89,;62.32,-43.13,;63.66,-43.91,;63.66,-45.44,;64.99,-46.21,;64.99,-47.75,;63.65,-48.52,;62.32,-47.75,;62.32,-46.21,;62.32,-41.6,;60.99,-40.83,;63.66,-40.8,;63.65,-39.25,;62.31,-38.48,;62.31,-36.95,;63.65,-36.18,;63.66,-34.63,;65,-33.86,;66.34,-34.62,;65.01,-32.31,;64.98,-38.49,;64.98,-36.95,;66.32,-39.26,;66.48,-40.79,;67.98,-41.1,;68.75,-39.76,;67.72,-38.63,;68.04,-37.12,;66.89,-36.09,;69.51,-36.63,;69.55,-35.08,;68.24,-34.28,;68.29,-32.73,;66.97,-31.93,;67.01,-30.39,;65.69,-29.57,;64.34,-30.3,;65.73,-28.03,;70.9,-34.35,;72.21,-35.16,;70.94,-32.8,;72.31,-32.07,;73.62,-32.87,;74.97,-32.14,;75.02,-30.6,;76.28,-32.95,;72.35,-30.52,;71.04,-29.72,;73.7,-29.79,;16.97,-41.65,;18.3,-40.88,;15.63,-40.87,)|
Structure:
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