Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393567
Substrate
n/a
Meas. Tech.
ChEMBL_855309 (CHEMBL2161793)
EC50
2706±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:
BDBM50393567
Synonyms:
CHEMBL2158496
Type:
Small organic molecule
Emp. Form.:
C58H44F2N6O14S2
Mol. Mass.:
1151.129
SMILES:
COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1)C(O)=O)C(O)=O |r,wU:38.42,17.19,16.17,55.62,wD:17.87,55.84,(8.03,-34.99,;6.71,-35.79,;5.36,-35.04,;4.04,-35.83,;2.7,-35.08,;2.67,-33.55,;3.98,-32.75,;5.34,-33.5,;6.66,-32.7,;6.63,-31.16,;5.28,-30.42,;7.88,-30.26,;9.34,-30.74,;10.25,-29.49,;9.34,-28.24,;7.88,-28.72,;1.38,-35.87,;1.38,-37.41,;2.45,-38.53,;2.44,-40.07,;1.1,-40.82,;3.77,-40.85,;3.75,-42.38,;5.07,-43.16,;6.42,-42.4,;7.74,-43.18,;9.08,-42.42,;9.09,-40.88,;10.41,-43.2,;10.4,-44.74,;9.06,-45.49,;9.05,-47.03,;10.38,-47.81,;11.72,-47.04,;13.05,-47.82,;11.72,-45.51,;6.42,-40.85,;5.1,-40.08,;-.16,-37.41,;-.95,-38.71,;-.23,-40.06,;-1.01,-41.38,;-2.56,-41.35,;-3.36,-42.66,;-2.62,-44.01,;-1.08,-44.05,;-3.57,-45.23,;-5.11,-45.19,;-5.64,-46.63,;-4.42,-47.58,;-3.14,-46.71,;-3.3,-39.99,;-4.84,-39.95,;-5.57,-38.6,;-2.5,-38.68,;-.16,-35.87,;-.93,-34.54,;-.16,-33.21,;1.38,-33.2,;-.93,-31.87,;-.16,-30.54,;-.93,-29.21,;-2.47,-29.21,;-3.24,-27.88,;-2.47,-26.54,;-.93,-26.54,;-3.25,-25.21,;-2.48,-23.88,;-3.26,-22.56,;-2.5,-21.22,;-.95,-21.22,;-.18,-22.55,;1.36,-22.55,;-.94,-23.88,;-3.24,-30.56,;-2.46,-31.88,;-1.7,-35.87,;-2.47,-34.54,;-2.47,-37.21,;2.92,-37.41,;3.69,-38.74,;3.44,-36.35,)|
Structure:
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