Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50393572
Substrate
n/a
Meas. Tech.
ChEMBL_1875038 (CHEMBL4376327)
EC50
203±n/a nM
Citation
 Menezes, JCJMDS; Diederich, MF Natural dimers of coumarin, chalcones, and resveratrol and the link between structure and pharmacology. Eur J Med Chem 182:0 (2019) [PubMed]  Article 
Target
Name:
Glucagon-like peptide 1 receptor
Synonyms:
GLP-1 receptor | GLP-1-R | GLP-1R | GLP1R | GLP1R_HUMAN | Glucagon-like peptide 1 receptor | Glucagon-like peptide 1 receptor (GLP-1)
Type:
Enzyme
Mol. Mass.:
53035.78
Organism:
Homo sapiens (Human)
Description:
P43220
Residue:
463
Sequence:
MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
  
Inhibitor
Name:
BDBM50393572
Synonyms:
CHEMBL2158488
Type:
Small organic molecule
Emp. Form.:
C52H48N4O14S2
Mol. Mass.:
1017.086
SMILES:
COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)C(C)C)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)C(C)C)cc1)C(O)=O)C(O)=O |r,wU:50.56,33.36,17.19,16.17,wD:50.72,17.75,(9.02,-36.38,;7.7,-37.17,;6.36,-36.42,;5.04,-37.21,;3.7,-36.46,;3.66,-34.93,;4.98,-34.13,;6.33,-34.88,;7.65,-34.09,;7.62,-32.55,;6.28,-31.8,;8.87,-31.64,;10.34,-32.12,;11.24,-30.88,;10.34,-29.63,;8.87,-30.1,;2.38,-37.26,;2.38,-38.8,;3.45,-39.91,;3.44,-41.45,;2.1,-42.21,;4.76,-42.23,;4.74,-43.77,;6.07,-44.55,;7.41,-43.79,;8.74,-44.57,;8.73,-46.11,;10.06,-46.88,;7.39,-46.87,;6.06,-46.09,;7.38,-48.41,;7.42,-42.24,;6.09,-41.47,;.84,-38.8,;.05,-40.09,;.77,-41.44,;-.02,-42.76,;-1.57,-42.73,;-2.37,-44.05,;-1.63,-45.4,;-.09,-45.43,;-2.57,-46.61,;-4.12,-46.57,;-4.64,-48.02,;-3.42,-48.96,;-2.15,-48.1,;-2.3,-41.38,;-3.84,-41.34,;-4.58,-39.98,;-1.5,-40.06,;.84,-37.26,;.07,-35.92,;.84,-34.59,;2.38,-34.59,;.07,-33.26,;.84,-31.93,;.07,-30.6,;-1.47,-30.6,;-2.24,-29.26,;-1.48,-27.93,;-2.25,-26.6,;.06,-27.93,;.83,-26.59,;.84,-29.26,;-2.24,-31.94,;-1.47,-33.27,;-.71,-37.26,;-1.48,-35.93,;-1.48,-38.59,;3.91,-38.8,;4.68,-40.13,;4.43,-37.73,)|
Structure:
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