Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50273753
Substrate
n/a
Meas. Tech.
ChEMBL_536039 (CHEMBL991609)
EC50
0.380000±n/a nM
Citation
 Murage, EN; Schroeder, JC; Beinborn, M; Ahn, JM Search for alpha-helical propensity in the receptor-bound conformation of glucagon-like peptide-1. Bioorg Med Chem 16:10106-12 (2008) [PubMed]  Article 
Target
Name:
Glucagon-like peptide 1 receptor
Synonyms:
GLP-1 receptor | GLP-1-R | GLP-1R | GLP1R | GLP1R_HUMAN | Glucagon-like peptide 1 receptor | Glucagon-like peptide 1 receptor (GLP-1)
Type:
Enzyme
Mol. Mass.:
53035.78
Organism:
Homo sapiens (Human)
Description:
P43220
Residue:
463
Sequence:
MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
  
Inhibitor
Name:
BDBM50273753
Synonyms:
CHEMBL524864
Type:
Small organic molecule
Emp. Form.:
C152H231N41O43
Mol. Mass.:
3320.7094
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:126.127,112.118,104.105,148.151,149.153,94.94,84.87,66.75,49.54,36.41,26.26,8.13,2.2,167.170,183.187,205.211,wD:121.122,137.139,155.158,90.91,78.81,58.62,31.31,17.22,4.4,178.183,197.203,212.218,225.231,(73.96,-8.34,;73.96,-6.79,;75.3,-6.02,;76.63,-6.79,;75.3,-4.49,;73.96,-3.72,;72.63,-4.49,;72.63,-6.03,;71.3,-3.72,;71.3,-2.18,;72.63,-1.4,;72.63,.14,;71.29,.91,;73.96,.9,;69.96,-4.5,;68.63,-3.72,;68.63,-2.18,;67.29,-4.49,;67.29,-6.03,;68.63,-6.8,;68.63,-8.34,;69.96,-9.12,;69.96,-10.65,;65.96,-3.73,;64.63,-4.5,;64.63,-6.04,;63.3,-3.73,;63.3,-2.19,;61.95,-4.5,;60.63,-3.73,;60.63,-2.19,;59.29,-4.51,;59.29,-6.05,;57.96,-3.74,;56.62,-4.51,;56.62,-6.04,;55.29,-3.74,;55.29,-2.2,;56.62,-1.43,;56.62,.11,;55.28,.89,;57.95,.89,;53.95,-4.51,;52.63,-3.75,;52.63,-2.2,;51.28,-4.52,;49.96,-3.75,;48.62,-4.52,;48.62,-6.06,;47.28,-3.75,;47.28,-2.21,;48.62,-1.43,;48.62,.11,;47.28,.88,;49.95,.87,;45.96,-4.53,;44.62,-3.75,;44.62,-2.21,;43.28,-4.52,;43.28,-6.06,;44.62,-6.83,;44.62,-8.37,;45.96,-6.06,;41.95,-3.76,;40.62,-4.53,;40.62,-6.07,;39.28,-3.76,;39.28,-2.21,;40.62,-1.45,;41.95,-2.22,;43.28,-1.44,;43.27,.09,;44.61,.87,;41.94,.86,;40.61,.1,;37.95,-4.53,;36.62,-3.76,;36.62,-2.22,;35.28,-4.54,;35.28,-6.08,;36.62,-6.85,;33.95,-3.77,;32.61,-4.54,;32.61,-6.07,;31.29,-3.77,;31.29,-2.23,;32.61,-1.46,;29.95,-4.54,;28.61,-3.78,;28.61,-2.23,;27.28,-4.55,;25.95,-3.78,;24.61,-4.55,;24.61,-6.09,;23.28,-3.78,;23.28,-2.24,;24.61,-1.47,;24.61,.08,;25.94,.84,;23.28,.84,;9.93,.83,;8.6,.06,;8.6,-1.48,;7.27,-2.25,;7.27,-3.79,;5.93,-4.56,;4.6,-3.8,;4.6,-2.25,;3.27,-4.57,;1.94,-3.8,;.6,-4.57,;.6,-6.11,;-.73,-3.8,;-.73,-2.26,;.6,-1.49,;.6,.06,;-.74,.83,;1.93,.82,;-2.07,-4.57,;-3.4,-3.8,;-3.39,-2.27,;-4.73,-4.58,;-4.74,-6.11,;-6.06,-3.81,;-7.39,-4.57,;-7.38,-6.12,;-8.74,-3.8,;-10.06,-4.58,;-8.72,-2.27,;-7.38,-1.5,;-5.99,-2.12,;-4.97,-.98,;-5.72,.35,;-7.23,.03,;8.6,-4.56,;8.6,-6.09,;9.94,-3.79,;11.27,-4.56,;11.27,-6.1,;12.6,-6.87,;13.93,-6.09,;15.27,-6.86,;15.28,-8.4,;13.94,-9.17,;12.61,-8.4,;12.6,-3.79,;12.6,-2.24,;13.94,-4.56,;15.28,-3.79,;15.28,-2.24,;13.94,-1.47,;16.6,-1.47,;16.6,-4.55,;16.6,-6.09,;17.94,-3.79,;19.28,-4.55,;19.28,-6.09,;20.61,-6.87,;20.61,-3.78,;20.61,-2.24,;21.94,-4.56,;27.28,-6.08,;28.61,-6.85,;25.95,-6.85,;76.63,-3.72,;76.63,-2.17,;77.96,-4.48,;79.3,-3.71,;79.3,-2.17,;80.63,-1.4,;81.96,-2.16,;83.3,-1.4,;83.29,.15,;81.95,.91,;80.63,.14,;80.63,-4.48,;80.63,-6.01,;81.97,-3.7,;83.3,-4.48,;83.3,-6.02,;84.63,-3.7,;84.63,-2.16,;85.97,-4.47,;87.3,-3.7,;87.3,-2.16,;88.63,-1.39,;90.04,-2.01,;91.06,-.86,;90.3,.47,;90.77,1.93,;89.74,3.08,;88.24,2.75,;87.76,1.29,;88.79,.14,;88.63,-4.47,;88.63,-6.01,;89.97,-3.7,;91.3,-4.47,;91.3,-6.01,;92.64,-6.77,;92.64,-8.31,;93.98,-6.01,;92.64,-3.69,;92.64,-2.15,;93.97,-4.47,;95.3,-3.7,;95.3,-2.15,;96.64,-1.38,;93.97,-1.38,;96.64,-4.46,;96.64,-6,;97.97,-3.69,;99.3,-4.46,;99.3,-5.99,;100.64,-6.76,;100.64,-8.3,;101.97,-9.07,;101.97,-10.61,;100.64,-3.68,;100.64,-2.14,;101.97,-4.45,;103.3,-3.68,;104.64,-4.45,;104.64,-5.99,;105.97,-3.68,;107.3,-4.45,;107.3,-5.99,;108.65,-6.76,;108.65,-8.29,;109.98,-9.06,;109.98,-10.6,;108.65,-11.37,;111.32,-11.37,;108.65,-3.68,;109.97,-4.44,;108.65,-2.13,)|
Structure:
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