Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50324715
Substrate
n/a
Meas. Tech.
ChEMBL_651180 (CHEMBL1227945)
EC50
0.028±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:
BDBM50324715
Synonyms:
CHEMBL1222089
Type:
Small organic molecule
Emp. Form.:
C153H224N40O49S
Mol. Mass.:
3439.719
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](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)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(N)=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:202.210,174.187,164.171,144.157,129.138,109.116,92.100,76.79,62.70,43.53,30.37,8.12,228.234,wD:193.204,185.191,216.224,170.175,219.227,156.165,138.144,117.129,101.108,81.91,71.74,54.61,39.41,16.28,4.4,236.242,237.245,206.211,(49.71,-4.86,;48.4,-4.06,;48.4,-2.47,;47.1,-1.68,;47.1,-.09,;45.79,.71,;44.48,-.08,;44.48,-1.68,;43.17,.71,;43.17,2.3,;44.48,3.1,;44.48,4.69,;45.79,2.3,;41.86,-.08,;40.55,.72,;40.55,2.3,;39.25,-.08,;39.25,-1.67,;40.55,-2.46,;41.92,-1.82,;42.95,-3,;42.18,-4.39,;42.64,-5.89,;41.63,-7.07,;40.15,-6.73,;39.68,-5.22,;40.7,-4.05,;37.93,.72,;36.62,-.07,;36.62,-1.67,;35.31,.72,;35.31,2.31,;36.62,3.11,;36.62,4.7,;35.32,5.48,;37.94,5.49,;34,-.07,;32.7,.73,;32.7,2.31,;31.38,-.07,;30.07,.73,;28.77,-.07,;28.77,-1.66,;27.45,.73,;27.45,2.32,;28.77,3.12,;30.08,2.31,;31.39,3.11,;31.39,4.7,;30.08,5.49,;28.77,4.71,;26.15,-.06,;24.83,.73,;24.83,2.32,;23.53,-.06,;23.53,-1.65,;24.86,-2.42,;26.2,-1.65,;24.86,-3.96,;22.22,.74,;20.91,-.06,;20.91,-1.65,;19.6,.74,;19.6,2.33,;20.91,3.13,;20.91,4.72,;22.22,5.5,;23.57,4.76,;18.28,-.05,;16.98,.74,;16.98,2.33,;15.67,-.05,;15.67,-1.64,;14.37,.75,;13.05,-.04,;13.05,-1.64,;11.74,.75,;11.74,2.34,;10.43,-.04,;9.11,.75,;9.11,2.35,;7.8,-.03,;7.8,-1.63,;9.11,-2.43,;9.11,-4.02,;10.43,-4.81,;10.4,-6.35,;11.72,-7.15,;9.04,-7.1,;6.48,.76,;5.2,-.02,;5.2,-1.63,;3.87,.77,;3.87,2.35,;5.22,3.12,;5.22,4.67,;3.87,5.44,;6.54,5.44,;2.58,-.02,;1.26,.77,;1.26,2.36,;-.06,-.02,;-.06,-1.62,;1.26,-2.41,;2.56,-1.62,;1.26,-4,;-1.37,.77,;-2.67,-.01,;-2.67,-1.61,;-3.99,.78,;-3.99,2.36,;-2.67,3.17,;-2.67,4.75,;-1.35,2.36,;-5.28,-.01,;-6.6,.78,;-6.6,2.36,;-7.9,-.01,;-7.9,-1.61,;-6.6,-2.4,;-5.29,-1.61,;-3.98,-2.41,;-3.98,-4,;-2.66,-4.79,;-5.29,-4.79,;-6.6,-3.99,;-9.22,.78,;-10.54,-0,;-10.54,-1.6,;-11.83,.78,;-11.83,2.37,;-10.54,3.17,;-10.54,4.76,;-9.23,5.56,;-9.23,7.15,;-13.15,-0,;-14.45,.79,;-14.45,2.37,;-15.76,0,;-15.76,-1.6,;-14.45,-2.39,;-17.09,.79,;-18.38,.01,;-18.38,-1.59,;-19.69,.79,;-19.69,2.38,;-18.38,3.18,;-17.08,2.38,;-15.76,3.18,;-15.76,4.77,;-14.44,5.57,;-17.08,5.57,;-18.39,4.77,;-21,.01,;-22.31,.8,;-22.31,2.38,;-23.63,.01,;-23.63,-1.58,;-22.31,-2.38,;-21.01,-1.58,;-22.31,-3.97,;-24.93,.8,;-26.25,.01,;-26.25,-1.58,;-27.56,.8,;-27.56,2.39,;-26.25,3.19,;-28.85,.02,;-30.18,.81,;-30.18,2.39,;-31.47,.02,;-32.8,.81,;-34.1,.02,;-34.1,-1.57,;-35.41,.81,;-35.41,2.4,;-34.1,3.2,;-32.8,2.4,;-31.47,3.2,;-31.48,4.78,;-32.79,5.59,;-34.09,4.79,;-36.72,.03,;-38.03,.82,;-38.03,2.4,;-39.34,.03,;-40.65,.82,;-41.96,.03,;-41.96,-1.56,;-43.26,.82,;-44.58,.04,;-45.89,.82,;-45.89,2.41,;-47.19,.04,;-47.19,-1.55,;-45.89,-2.35,;-45.89,-3.95,;-47.19,-4.74,;-44.59,-4.74,;-48.5,.83,;-49.81,.04,;-49.81,-1.55,;-51.14,.83,;-51.14,2.42,;-49.8,3.22,;-52.42,.04,;-53.78,.82,;-53.78,2.34,;-55.09,3.1,;-56.35,2.24,;-57.58,3.16,;-57.08,4.62,;-55.54,4.59,;-55.11,.05,;-56.43,.82,;-55.11,-1.49,;-39.34,-1.56,;-40.65,-2.37,;-38.03,-2.36,;-31.47,-1.57,;-32.8,-2.38,;-30.18,-2.37,;31.38,-1.66,;32.7,-2.45,;30.07,-2.46,;48.4,.71,;48.4,2.29,;49.72,-.09,;51.02,.7,;51.02,2.29,;52.34,3.09,;53.65,2.29,;52.34,4.68,;52.34,-.09,;52.34,-1.68,;53.64,.7,;54.95,-.1,;54.95,-1.69,;53.64,-2.48,;56.27,-2.48,;56.27,.7,;57.58,-.1,;56.27,2.28,)|
Structure:
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