Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393595
Substrate
n/a
Meas. Tech.
ChEMBL_855309 (CHEMBL2161793)
EC50
>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:
Rat
Description:
ChEMBL_855307
Residue:
463
Sequence:
MAVTPSLLRLALLLLGAVGRAGPRPQGATVSLSETVQKWREYRHQCQRFLTEAPLLATGLFCNRTFDDYACWPDGPPGSFVNVSCPWYLPWASSVLQGHVYRFCTAEGIWLHKDNSSLPWRDLSECEESKQGERNSPEEQLLSLYIIYTVGYALSFSALVIASAILVSFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLGCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVFSEQRIFKLYLSIGWGVPLLFVIPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLVFIRVICIVIAKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFVKLFTELSFTSFQGFMVAVLYCFVNNEVQMEFRKSWERWRLERLNIQRDSSMKPLKCPTSSVSSGATVGSSVYAATCQNSCS
  
Inhibitor
Name:
BDBM50393595
Synonyms:
CHEMBL2158397
Type:
Small organic molecule
Emp. Form.:
C58H60N4O14
Mol. Mass.:
1037.1154
SMILES:
COc1cc(ccc1OCc1ccccc1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(OCc3ccccc3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O)C(O)=O |r,wU:35.38,17.19,16.17,52.58,wD:17.79,52.76,(-5.32,-34.94,;-4.58,-36.29,;-3.04,-36.33,;-2.24,-35.02,;-.69,-35.04,;.03,-36.39,;-.76,-37.72,;-2.31,-37.68,;-3.11,-39,;-4.65,-38.96,;-5.45,-40.28,;-6.98,-40.24,;-7.78,-41.55,;-7.05,-42.9,;-5.5,-42.94,;-4.7,-41.62,;.1,-33.75,;.1,-32.21,;-.67,-30.88,;.1,-29.54,;1.64,-29.54,;-.67,-28.21,;.1,-26.88,;-.67,-25.55,;-2.21,-25.55,;-2.98,-24.22,;-2.22,-22.88,;-2.99,-21.55,;-.68,-22.88,;.09,-21.54,;1.63,-21.54,;-.68,-20.21,;.85,-20.2,;-2.98,-26.89,;-2.21,-28.22,;1.64,-32.21,;2.96,-31.42,;2.92,-29.88,;4.24,-29.09,;5.59,-29.83,;6.91,-29.04,;6.88,-27.5,;8.2,-26.71,;9.55,-27.45,;10.87,-26.66,;10.84,-25.12,;9.48,-24.37,;8.17,-25.17,;5.62,-31.38,;6.96,-32.12,;8.29,-31.33,;4.3,-32.17,;1.64,-33.75,;2.71,-34.86,;2.7,-36.4,;1.36,-37.16,;4.02,-37.18,;4.01,-38.72,;5.33,-39.5,;6.67,-38.74,;8,-39.52,;7.99,-41.06,;9.32,-41.84,;6.65,-41.82,;6.64,-43.36,;5.3,-44.12,;7.97,-44.14,;6.65,-44.9,;6.68,-37.19,;5.35,-36.42,;3.17,-33.75,;3.94,-35.08,;3.69,-32.69,;-1.45,-32.21,;-2.22,-30.88,;-2.22,-33.54,)|
Structure:
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