Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393573
Substrate
n/a
Meas. Tech.
ChEMBL_855309 (CHEMBL2161793)
EC50
695.8±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:
BDBM50393573
Synonyms:
CHEMBL2158423
Type:
Small organic molecule
Emp. Form.:
C50H44N4O14S2
Mol. Mass.:
989.033
SMILES:
CCC(=O)Nc1ccc(cc1)C(=O)N[C@@]1([C@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@](NC(=O)c2ccc(NC(=O)CC)cc2)([C@@H]1c1ccc(OC(=O)c2cccs2)c(OC)c1)C(O)=O)C(O)=O |r,wU:15.16,32.35,47.52,14.14,wD:32.70,14.73,(9.59,-16.65,;9.6,-15.11,;10.94,-14.35,;12.27,-15.13,;10.95,-12.81,;9.62,-12.03,;8.28,-12.79,;6.95,-12.01,;6.97,-10.47,;8.3,-9.71,;9.63,-10.48,;5.64,-9.69,;4.31,-10.45,;5.66,-8.15,;4.59,-7.04,;4.59,-5.5,;5.91,-4.71,;5.87,-3.17,;7.18,-2.38,;8.54,-3.12,;9.86,-2.33,;9.83,-.79,;8.48,-.05,;11.08,.11,;12.54,-.36,;13.45,.88,;12.55,2.13,;11.08,1.65,;8.57,-4.67,;9.91,-5.41,;11.23,-4.62,;7.25,-5.46,;3.04,-5.5,;2.28,-4.17,;3.05,-2.83,;4.59,-2.83,;2.27,-1.5,;3.05,-.17,;2.28,1.16,;.74,1.16,;-.04,2.49,;.73,3.83,;-.04,5.16,;2.27,3.83,;3.04,2.5,;-.03,-.18,;.74,-1.51,;3.05,-7.04,;2.25,-8.34,;2.98,-9.68,;2.19,-11.01,;.64,-10.97,;-.16,-12.29,;.58,-13.64,;2.12,-13.68,;-.36,-14.86,;-1.91,-14.81,;-2.43,-16.26,;-1.21,-17.21,;.06,-16.34,;-.09,-9.62,;-1.63,-9.58,;-2.37,-8.23,;.71,-8.31,;1.5,-5.5,;.73,-4.17,;.73,-6.84,;6.12,-7.04,;6.89,-8.37,;6.64,-5.98,)|
Structure:
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