Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393589
Substrate
n/a
Meas. Tech.
ChEMBL_855309 (CHEMBL2161793)
EC50
8310±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:
BDBM50393589
Synonyms:
CHEMBL2158406
Type:
Small organic molecule
Emp. Form.:
C48H52N4O16
Mol. Mass.:
940.9437
SMILES:
COc1cc(ccc1OC(C)=O)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(OC(C)=O)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O)C(O)=O |r,wU:12.12,44.48,31.33,13.14,wD:44.66,13.69,(5.44,-26.86,;4.12,-27.66,;4.15,-29.2,;2.84,-29.99,;2.87,-31.53,;4.21,-32.28,;5.53,-31.48,;5.51,-29.94,;6.83,-29.15,;8.17,-29.89,;8.2,-31.43,;9.49,-29.1,;1.56,-32.32,;1.55,-33.86,;2.62,-34.97,;2.61,-36.51,;1.27,-37.27,;3.94,-37.29,;3.92,-38.83,;5.25,-39.61,;6.59,-38.85,;7.92,-39.63,;7.91,-41.17,;9.23,-41.95,;6.57,-41.93,;6.56,-43.47,;5.22,-44.23,;7.89,-44.25,;6.56,-45.01,;6.59,-37.3,;5.27,-36.53,;.02,-33.86,;-.78,-35.15,;-.05,-36.5,;-.84,-37.82,;-2.39,-37.79,;-3.19,-39.11,;-4.73,-39.07,;-5.53,-40.39,;-5.47,-37.72,;-3.13,-36.44,;-4.67,-36.4,;-5.4,-35.05,;-2.33,-35.12,;.01,-32.32,;-.76,-30.98,;.01,-29.65,;1.55,-29.65,;-.76,-28.32,;.01,-26.99,;-.75,-25.66,;-2.3,-25.66,;-3.07,-24.33,;-2.3,-22.99,;-3.07,-21.66,;-.76,-22.99,;.01,-21.65,;1.55,-21.65,;-.77,-20.32,;.76,-20.31,;-3.07,-27,;-2.29,-28.33,;-1.53,-32.32,;-2.3,-30.99,;-2.3,-33.65,;3.09,-33.86,;3.86,-35.19,;3.61,-32.79,)|
Structure:
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