Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50324720
Substrate
n/a
Meas. Tech.
ChEMBL_651180 (CHEMBL1227945)
EC50
0.11±n/a nM
Citation
 Day, JW; Ottaway, N; Patterson, JT; Gelfanov, V; Smiley, D; Gidda, J; Findeisen, H; Bruemmer, D; Drucker, DJ; Chaudhary, N; Holland, J; Hembree, J; Abplanalp, W; Grant, E; Ruehl, J; Wilson, H; Kirchner, H; Lockie, SH; Hofmann, S; Woods, SC; Nogueiras, R; Pfluger, PT; Perez-Tilve, D; DiMarchi, R; Tschöp, MH A new glucagon and GLP-1 co-agonist eliminates obesity in rodents. Nat Chem Biol 5:749-57 (2009) [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:
BDBM50324720
Synonyms:
CHEMBL1222094
Type:
Small organic molecule
Emp. Form.:
C155H226N42O51S
Mol. Mass.:
3525.769
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r,wU:208.216,180.193,170.177,150.163,135.144,115.122,98.106,76.86,62.70,43.53,30.37,8.12,234.240,wD:199.210,191.197,222.230,176.181,225.233,162.171,144.150,123.135,107.114,87.97,71.74,54.61,39.41,16.28,4.4,242.248,243.251,212.217,(49.7,-5.26,;48.39,-4.46,;48.39,-2.87,;47.08,-2.08,;47.08,-.49,;45.77,.31,;44.47,-.48,;44.47,-2.07,;43.15,.31,;43.15,1.9,;44.47,2.7,;44.47,4.29,;45.78,1.9,;41.85,-.48,;40.54,.32,;40.54,1.9,;39.23,-.48,;39.23,-2.07,;40.54,-2.86,;41.91,-2.22,;42.93,-3.4,;42.17,-4.79,;42.63,-6.29,;41.61,-7.47,;40.14,-7.14,;39.67,-5.63,;40.69,-4.45,;37.92,.32,;36.61,-.47,;36.61,-2.07,;35.3,.32,;35.3,1.91,;36.61,2.71,;36.61,4.3,;35.3,5.08,;37.93,5.09,;33.98,-.47,;32.68,.33,;32.68,1.91,;31.37,-.47,;30.06,.33,;28.75,-.46,;28.75,-2.06,;27.44,.33,;27.44,1.92,;28.75,2.72,;30.06,1.92,;31.37,2.72,;31.37,4.3,;30.07,5.09,;28.76,4.31,;26.14,-.46,;24.81,.34,;24.81,1.92,;23.51,-.46,;23.51,-2.05,;24.81,-2.84,;26.13,-2.05,;24.81,-4.44,;22.2,.34,;20.9,-.45,;20.9,-2.05,;19.58,.34,;19.58,1.93,;20.9,2.73,;20.9,4.32,;19.59,5.1,;22.21,5.11,;18.27,-.45,;16.97,.34,;16.97,1.93,;15.65,-.45,;15.65,-2.04,;14.36,.35,;13.03,-.44,;13.03,-2.04,;11.72,.35,;11.72,1.94,;13.03,2.75,;13.03,4.33,;14.36,5.11,;14.36,6.71,;13.04,7.5,;15.66,7.5,;10.41,-.43,;9.1,.35,;9.1,1.95,;7.78,-.43,;7.78,-2.03,;9.1,-2.82,;9.1,-4.42,;10.43,-5.19,;10.44,-6.73,;11.79,-7.5,;9.11,-7.5,;6.47,.36,;5.19,-.42,;5.19,-2.03,;3.86,.37,;3.86,1.95,;5.19,2.76,;5.15,4.3,;3.79,5.04,;6.46,5.1,;2.56,-.42,;1.25,.37,;1.25,1.96,;-.07,-.41,;-.07,-2.01,;1.25,-2.81,;2.54,-2.01,;1.25,-4.4,;-1.38,.37,;-2.68,-.41,;-2.68,-2.01,;-4,.38,;-4,1.96,;-2.68,2.77,;-2.68,4.35,;-1.36,1.96,;-5.3,-.41,;-6.62,.38,;-6.62,1.97,;-7.92,-.41,;-7.92,-2.01,;-6.62,-2.8,;-5.31,-2.01,;-4,-2.8,;-4,-4.39,;-2.68,-5.19,;-5.3,-5.19,;-6.61,-4.39,;-9.24,.38,;-10.55,-.4,;-10.55,-2,;-11.85,.39,;-11.85,1.97,;-10.55,2.78,;-10.55,4.36,;-9.24,5.16,;-9.24,6.74,;-13.16,-.4,;-14.47,.39,;-14.47,1.97,;-15.77,-.4,;-15.77,-2,;-14.47,-2.79,;-17.1,.39,;-18.4,-.39,;-18.4,-1.99,;-19.71,.39,;-19.71,1.98,;-18.4,2.78,;-17.09,1.98,;-15.77,2.78,;-15.78,4.37,;-14.46,5.16,;-17.09,5.16,;-18.4,4.37,;-21.02,-.39,;-22.33,.4,;-22.33,1.98,;-23.65,-.39,;-23.65,-1.98,;-22.33,-2.78,;-21.03,-1.98,;-22.33,-4.37,;-24.94,.4,;-26.26,-.38,;-26.26,-1.98,;-27.57,.4,;-27.57,1.99,;-26.26,2.79,;-28.87,-.38,;-30.2,.41,;-30.2,1.99,;-31.49,-.38,;-32.81,.41,;-34.11,-.37,;-34.11,-1.97,;-35.43,.41,;-35.43,2,;-34.11,2.8,;-32.81,2,;-31.49,2.8,;-31.49,4.39,;-32.8,5.18,;-34.1,4.39,;-36.73,-.37,;-38.04,.42,;-38.04,2,;-39.35,-.37,;-40.67,.42,;-41.97,-.37,;-41.97,-1.96,;-43.27,.42,;-44.6,-.36,;-45.91,.43,;-45.91,2.01,;-47.21,-.36,;-47.21,-1.95,;-45.9,-2.75,;-45.9,-4.34,;-47.2,-5.14,;-44.61,-5.14,;-48.52,.43,;-49.83,-.36,;-49.83,-1.95,;-51.15,.43,;-51.15,2.02,;-49.81,2.82,;-52.44,-.36,;-53.79,.42,;-53.79,1.94,;-55.11,2.7,;-56.36,1.84,;-57.59,2.76,;-57.1,4.22,;-55.55,4.19,;-55.12,-.35,;-56.45,.42,;-55.12,-1.89,;-39.35,-1.96,;-40.67,-2.76,;-38.04,-2.76,;-31.49,-1.97,;-32.81,-2.77,;-30.2,-2.77,;31.37,-2.06,;32.68,-2.85,;30.06,-2.86,;48.39,.31,;48.39,1.89,;49.71,-.49,;51.01,.3,;51.01,1.89,;52.32,2.69,;53.63,1.89,;52.32,4.28,;52.32,-.49,;52.32,-2.08,;53.63,.3,;54.94,-.49,;54.94,-2.09,;53.63,-2.88,;56.25,-2.88,;56.25,.3,;57.59,-.46,;56.25,1.88,)|
Structure:
Search PDB for entries with ligand similarity: