Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50442918
Substrate
n/a
Meas. Tech.
ChEMBL_1275952 (CHEMBL3090287)
IC50
7.6±n/a nM
Citation
 Heard, KR; Wu, W; Li, Y; Zhao, P; Woznica, I; Lai, JH; Beinborn, M; Sanford, DG; Dimare, MT; Chiluwal, AK; Peters, DE; Whicher, D; Sudmeier, JL; Bachovchin, WW A general method for making peptide therapeutics resistant to serine protease degradation: application to dipeptidyl peptidase IV substrates. J Med Chem 56:8339-51 (2013) [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:
BDBM50442918
Synonyms:
CHEMBL3086851
Type:
Small organic molecule
Emp. Form.:
C150H228N40O45
Mol. Mass.:
3311.6563
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)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](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)(C)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)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:119.121,146.149,113.117,89.93,77.87,69.74,42.43,28.34,19.25,8.16,177.181,196.201,224.229,2.2,wD:123.133,134.137,151.154,165.170,105.111,101.103,95.99,60.66,47.53,37.38,4.4,182.185,204.209,211.216,168.173,(60.81,-10.24,;62.14,-11.01,;62.14,-12.55,;60.81,-13.32,;63.48,-13.32,;64.82,-12.55,;64.82,-11.01,;63.49,-10.24,;66.15,-10.24,;67.48,-11.01,;67.48,-12.55,;68.82,-13.32,;68.81,-14.87,;67.48,-15.63,;66.15,-14.86,;66.15,-13.33,;66.15,-8.7,;64.82,-7.93,;63.49,-8.7,;64.82,-6.39,;66.15,-5.62,;66.15,-4.08,;67.48,-3.31,;68.82,-4.08,;67.48,-1.77,;63.49,-5.62,;62.15,-6.39,;62.15,-7.93,;60.81,-5.62,;60.81,-4.08,;62.15,-3.31,;62.15,-1.77,;63.49,-.99,;63.49,.55,;59.48,-6.39,;58.15,-5.62,;58.15,-4.08,;56.81,-6.39,;56.81,-7.93,;55.47,-5.62,;54.14,-6.39,;54.14,-7.93,;52.8,-5.62,;52.8,-4.08,;51.46,-6.39,;51.46,-7.93,;52.8,-8.7,;50.13,-8.7,;50.13,-10.24,;51.46,-11.01,;51.46,-12.55,;50.13,-13.32,;52.8,-13.32,;48.8,-7.93,;47.46,-8.7,;47.46,-10.24,;46.13,-7.93,;44.8,-8.7,;43.46,-7.93,;43.46,-6.39,;42.13,-8.7,;42.13,-10.24,;43.46,-11.01,;43.46,-12.55,;42.13,-13.32,;44.79,-13.32,;40.79,-7.93,;39.46,-8.69,;39.46,-10.24,;38.13,-7.93,;38.13,-6.38,;39.46,-5.62,;39.46,-4.07,;40.8,-6.38,;36.79,-8.69,;36.79,-10.24,;38.13,-11,;35.46,-11,;34.12,-10.24,;32.79,-11,;31.45,-10.24,;30.12,-10.99,;30.11,-12.52,;28.77,-13.29,;31.45,-13.31,;32.78,-12.54,;35.46,-12.55,;36.79,-13.31,;38.13,-12.55,;36.79,-14.86,;35.46,-15.63,;34.12,-14.86,;38.13,-15.63,;38.13,-17.17,;36.8,-17.93,;39.46,-17.93,;40.8,-17.17,;40.8,-15.62,;39.46,-19.48,;40.8,-20.25,;42.13,-19.48,;40.8,-21.79,;39.46,-22.56,;38.13,-21.79,;38.13,-20.25,;36.8,-22.56,;36.8,-24.1,;38.13,-24.87,;39.46,-24.1,;38.13,-26.41,;35.46,-21.79,;34.12,-22.56,;34.12,-24.1,;32.79,-21.79,;32.79,-20.25,;34.12,-19.48,;31.46,-22.56,;30.13,-21.79,;30.13,-20.25,;28.79,-22.56,;28.79,-24.1,;27.46,-24.87,;26.12,-24.1,;27.46,-26.41,;28.79,-27.18,;28.79,-28.72,;30.12,-29.49,;30.12,-31.03,;28.79,-31.8,;27.45,-31.03,;27.45,-29.5,;26.12,-27.18,;24.79,-26.41,;24.79,-24.87,;23.45,-27.18,;22.12,-26.41,;20.79,-27.18,;20.79,-28.72,;19.45,-26.41,;19.45,-24.87,;18.12,-24.1,;18.12,-22.56,;16.78,-24.87,;15.45,-24.1,;14.11,-24.87,;14.11,-26.41,;12.78,-24.1,;12.78,-22.56,;11.45,-24.86,;10.11,-24.1,;10.11,-22.55,;8.78,-24.86,;7.45,-24.1,;8.78,-26.41,;7.45,-27.17,;6.01,-26.66,;5.01,-27.83,;5.91,-29.08,;7.37,-28.67,;16.78,-26.41,;15.45,-27.18,;18.11,-27.18,;16.77,-27.94,;18.1,-28.72,;15.44,-28.7,;23.45,-28.72,;22.12,-29.49,;24.79,-29.49,;27.46,-21.79,;27.46,-20.25,;26.12,-22.56,;42.13,-22.56,;43.47,-21.79,;42.13,-24.1,;63.48,-14.86,;64.82,-15.63,;62.14,-15.63,;62.14,-17.17,;63.48,-17.94,;60.81,-17.94,;60.81,-19.48,;59.48,-17.17,;58.15,-17.94,;56.81,-17.17,;55.44,-17.88,;55.23,-19.31,;53.72,-19.63,;52.95,-18.3,;51.44,-17.98,;50.97,-16.51,;52,-15.37,;53.51,-15.69,;53.99,-17.16,;58.15,-19.48,;59.48,-20.25,;56.81,-20.25,;56.81,-21.79,;58.15,-22.56,;58.15,-24.1,;59.48,-24.87,;56.81,-24.87,;55.48,-22.56,;54.15,-21.79,;55.48,-24.1,;54.14,-24.87,;52.81,-24.1,;51.47,-24.87,;52.81,-22.56,;54.14,-26.41,;55.48,-27.18,;52.81,-27.18,;52.81,-28.72,;51.47,-29.49,;50.14,-28.72,;48.81,-29.49,;47.48,-28.72,;46.14,-29.49,;54.14,-29.49,;54.14,-31.03,;55.48,-28.72,;56.81,-29.49,;58.15,-28.72,;58.15,-27.18,;59.49,-29.49,;60.82,-28.72,;60.82,-27.18,;62.15,-26.41,;62.15,-24.87,;63.49,-24.1,;63.49,-22.56,;62.15,-21.79,;64.82,-21.79,;62.15,-29.49,;63.48,-28.72,;62.15,-31.03,)|
Structure:
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