Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393569
Substrate
n/a
Meas. Tech.
ChEMBL_855309 (CHEMBL2161793)
EC50
9120±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:
BDBM50393569
Synonyms:
CHEMBL2158494
Type:
Small organic molecule
Emp. Form.:
C48H42N6O12S4
Mol. Mass.:
1023.14
SMILES:
CNC(=S)Nc1ccc(cc1)C(=O)N[C@@]1([C@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@](NC(=O)c2ccc(NC(=S)NC)cc2)([C@@H]1c1ccc(OC(=O)c2cccs2)c(OC)c1)C(O)=O)C(O)=O |r,wU:47.52,14.14,15.16,32.35,wD:32.70,14.73,(11.33,-15.19,;11.34,-13.65,;10.01,-12.87,;10.02,-11.33,;8.67,-13.63,;7.34,-12.86,;6,-13.61,;4.67,-12.83,;4.69,-11.3,;6.02,-10.53,;7.35,-11.31,;3.37,-10.52,;2.03,-11.28,;3.38,-8.98,;2.31,-7.86,;2.31,-6.32,;3.63,-5.53,;3.59,-4,;4.91,-3.2,;6.26,-3.95,;7.58,-3.16,;7.55,-1.62,;6.21,-.87,;8.8,-.71,;10.27,-1.19,;11.17,.06,;10.27,1.3,;8.8,.83,;6.29,-5.49,;7.63,-6.24,;8.95,-5.45,;4.97,-6.28,;.77,-6.33,;-0,-4.99,;.77,-3.66,;2.31,-3.66,;-0,-2.32,;.77,-1,;-0,.34,;-1.54,.34,;-2.31,1.67,;-1.55,3,;-.01,3.01,;-2.32,4.34,;-1.55,5.67,;-2.31,-1.01,;-1.54,-2.33,;.77,-7.86,;-.02,-9.16,;.7,-10.51,;-.09,-11.83,;-1.64,-11.8,;-2.44,-13.11,;-1.7,-14.46,;-.16,-14.5,;-2.64,-15.68,;-4.19,-15.64,;-4.71,-17.09,;-3.49,-18.03,;-2.22,-17.16,;-2.37,-10.44,;-3.91,-10.4,;-4.65,-9.05,;-1.57,-9.13,;-.78,-6.33,;-1.55,-4.99,;-1.55,-7.66,;3.84,-7.86,;4.61,-9.2,;4.36,-6.8,)|
Structure:
Search PDB for entries with ligand similarity: