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Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393578
Substrate
n/a
Meas. Tech.
ChEMBL_855307 (CHEMBL2161791)
IC50
>20000±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:
BDBM50393578
Synonyms:
CHEMBL2158416
Type:
Small organic molecule
Emp. Form.:
C54H54N6O14S2
Mol. Mass.:
1075.168
SMILES:
COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(N)=O)C(N)=O |r,wU:35.38,17.19,16.17,52.58,wD:17.79,52.76,(16.51,-8.98,;17.24,-10.33,;18.78,-10.37,;19.58,-9.06,;21.13,-9.09,;21.86,-10.44,;21.07,-11.76,;19.52,-11.73,;18.72,-13.04,;19.46,-14.39,;21,-14.43,;18.51,-15.61,;16.97,-15.57,;16.45,-17.02,;17.66,-17.96,;18.94,-17.09,;21.93,-7.79,;21.92,-6.26,;21.15,-4.92,;21.92,-3.59,;23.46,-3.59,;21.15,-2.25,;21.92,-.93,;21.16,.41,;19.61,.41,;18.84,1.74,;19.61,3.07,;18.84,4.41,;21.15,3.08,;21.92,4.41,;23.46,4.41,;21.14,5.74,;22.67,5.76,;18.84,-.94,;19.62,-2.26,;23.47,-6.25,;24.78,-5.46,;24.75,-3.93,;26.06,-3.13,;27.42,-3.88,;28.74,-3.09,;28.71,-1.55,;27.36,-.8,;29.96,-.64,;31.42,-1.12,;32.33,.13,;31.43,1.37,;29.96,.9,;27.44,-5.42,;28.79,-6.17,;30.11,-5.38,;26.12,-6.21,;23.46,-7.79,;24.53,-8.91,;24.52,-10.45,;23.18,-11.21,;25.85,-11.23,;25.83,-12.76,;27.16,-13.54,;28.5,-12.79,;29.83,-13.56,;29.82,-15.1,;31.14,-15.88,;28.48,-15.87,;28.47,-17.41,;27.13,-18.17,;29.8,-18.18,;28.47,-18.95,;28.5,-11.24,;27.18,-10.46,;25,-7.79,;25.77,-9.13,;25.52,-6.73,;20.38,-6.26,;19.61,-4.92,;19.61,-7.59,)|
Structure:
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