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Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393571
Substrate
n/a
Meas. Tech.
ChEMBL_855307 (CHEMBL2161791)
IC50
500±n/a nM
Citation
 Liu, Q; Li, N; Yuan, Y; Lu, H; Wu, X; Zhou, C; He, M; Su, H; Zhang, M; Wang, J; Wang, B; Wang, Y; Ma, D; Ye, Y; Weiss, HC; Gesing, ER; Liao, J; Wang, MW Cyclobutane derivatives as novel nonpeptidic small molecule agonists of glucagon-like peptide-1 receptor. J Med Chem 55:250-67 (2012) [PubMed]  Article 
Target
Name:
Glucagon-like peptide 1 receptor
Synonyms:
GLP1R_RAT | Glp1r | Glpr
Type:
PROTEIN
Mol. Mass.:
52889.73
Organism:
Rattus norvegicus
Description:
ChEMBL_855307
Residue:
463
Sequence:
MAVTPSLLRLALLLLGAVGRAGPRPQGATVSLSETVQKWREYRHQCQRFLTEAPLLATGLFCNRTFDDYACWPDGPPGSFVNVSCPWYLPWASSVLQGHVYRFCTAEGIWLHKDNSSLPWRDLSECEESKQGERNSPEEQLLSLYIIYTVGYALSFSALVIASAILVSFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLGCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVFSEQRIFKLYLSIGWGVPLLFVIPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLVFIRVICIVIAKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFVKLFTELSFTSFQGFMVAVLYCFVNNEVQMEFRKSWERWRLERLNIQRDSSMKPLKCPTSSVSSGATVGSSVYAATCQNSCS
  
Inhibitor
Name:
BDBM50393571
Synonyms:
CHEMBL2158489
Type:
Small organic molecule
Emp. Form.:
C54H52N4O14S2
Mol. Mass.:
1045.139
SMILES:
COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)C(O)=O)C(O)=O |r,wU:51.57,34.37,17.19,16.17,wD:51.74,17.77,(33.17,-34.99,;31.85,-35.78,;30.5,-35.03,;29.18,-35.82,;27.84,-35.07,;27.8,-33.54,;29.12,-32.74,;30.47,-33.49,;31.79,-32.7,;31.77,-31.16,;30.42,-30.41,;33.01,-30.25,;34.48,-30.73,;35.39,-29.48,;34.48,-28.24,;33.02,-28.71,;26.52,-35.86,;26.52,-37.4,;27.59,-38.52,;27.58,-40.06,;26.24,-40.82,;28.91,-40.84,;28.89,-42.37,;30.21,-43.15,;31.55,-42.4,;32.88,-43.17,;32.87,-44.71,;34.2,-45.49,;31.53,-45.48,;30.21,-44.7,;31.52,-47.02,;30.04,-45.87,;31.56,-40.85,;30.23,-40.07,;24.98,-37.4,;24.19,-38.7,;24.91,-40.05,;24.12,-41.37,;22.58,-41.34,;21.78,-42.65,;22.51,-44,;24.05,-44.04,;21.57,-45.22,;20.02,-45.18,;19.5,-46.63,;20.72,-47.57,;21.99,-46.7,;21.84,-39.98,;20.3,-39.94,;19.56,-38.59,;22.64,-38.67,;24.98,-35.87,;24.21,-34.53,;24.98,-33.2,;26.52,-33.2,;24.21,-31.86,;24.98,-30.54,;24.21,-29.2,;22.67,-29.2,;21.9,-27.87,;22.67,-26.54,;21.89,-25.2,;24.21,-26.53,;24.98,-27.87,;24.97,-25.2,;25.74,-26.53,;21.9,-30.55,;22.68,-31.87,;23.43,-35.87,;22.66,-34.53,;22.67,-37.2,;28.05,-37.4,;28.83,-38.74,;28.57,-36.34,)|
Structure:
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