Reaction Details
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Glucagon-like peptide 1 receptor
Ligand
BDBM50324702
Substrate
n/a
Meas. Tech.
ChEMBL_651180 (CHEMBL1227945)
EC50
0.17±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 More Info.:
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:
BDBM50324702
Synonyms:
CHEMBL1222076
Type:
Small organic molecule
Emp. Form.:
C155H227N43O50S
Mol. Mass.:
3524.784
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(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: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,(49.71,-5.25,;48.4,-4.46,;48.4,-2.87,;47.1,-2.08,;47.1,-.49,;45.79,.31,;44.48,-.48,;44.48,-2.07,;43.17,.31,;43.17,1.9,;44.48,2.7,;44.48,4.29,;45.79,1.9,;41.86,-.48,;40.54,.32,;40.54,1.9,;39.25,-.48,;39.25,-2.07,;40.54,-2.86,;41.92,-2.22,;42.95,-3.4,;42.17,-4.78,;42.64,-6.29,;41.63,-7.47,;40.16,-7.14,;39.69,-5.63,;40.7,-4.44,;37.94,.32,;36.63,-.47,;36.63,-2.07,;35.32,.32,;35.32,1.91,;36.63,2.71,;36.63,4.29,;35.32,5.08,;37.94,5.08,;33.99,-.47,;32.7,.32,;32.7,1.91,;31.37,-.47,;30.07,.33,;28.77,-.47,;28.77,-2.06,;27.45,.33,;27.45,1.92,;28.77,2.72,;30.08,1.91,;31.38,2.71,;31.38,4.3,;30.08,5.09,;28.77,4.3,;26.16,-.46,;24.84,.33,;24.84,1.92,;23.53,-.46,;23.53,-2.05,;24.84,-2.84,;26.15,-2.05,;24.84,-4.43,;22.23,.34,;20.91,-.46,;20.91,-2.05,;19.6,.34,;19.6,1.92,;20.91,2.73,;20.91,4.31,;19.61,5.1,;22.24,5.1,;18.3,-.45,;16.98,.34,;16.98,1.93,;15.68,-.45,;15.68,-2.04,;14.38,.35,;13.06,-.44,;13.06,-2.04,;11.76,.35,;11.76,1.93,;13.06,2.74,;13.06,4.32,;14.38,5.11,;14.38,6.7,;13.07,7.5,;15.67,7.5,;10.44,-.44,;9.13,.35,;9.13,1.94,;7.82,-.43,;7.82,-2.03,;9.13,-2.82,;9.13,-4.42,;10.46,-5.19,;10.46,-6.73,;11.8,-7.5,;9.13,-7.5,;6.5,.36,;5.22,-.42,;5.22,-2.03,;3.9,.37,;3.9,1.95,;5.24,2.72,;5.24,4.26,;3.9,5.03,;6.57,5.03,;2.6,-.42,;1.29,.37,;1.29,1.95,;-.03,-.42,;-.03,-2.02,;1.29,-2.81,;2.58,-2.02,;1.29,-4.4,;-1.34,.37,;-2.65,-.41,;-2.65,-2.01,;-3.96,.38,;-3.96,1.96,;-2.65,2.76,;-2.65,4.35,;-1.32,1.96,;-5.25,-.41,;-6.57,.38,;-6.57,1.96,;-7.87,-.41,;-7.87,-2.01,;-6.57,-2.8,;-5.27,-2.01,;-3.96,-2.8,;-3.95,-4.39,;-2.64,-5.19,;-5.26,-5.19,;-6.57,-4.39,;-9.19,.38,;-10.5,-.4,;-10.5,-2,;-11.81,.38,;-11.81,1.97,;-10.5,2.77,;-10.5,4.36,;-9.2,5.15,;-9.2,6.74,;-13.11,-.4,;-14.42,.39,;-14.42,1.97,;-15.72,-.4,;-15.72,-2,;-14.42,-2.79,;-17.05,.39,;-18.35,-.39,;-18.35,-1.99,;-19.65,.39,;-19.65,1.98,;-18.35,2.78,;-17.04,1.98,;-15.73,2.78,;-15.73,4.36,;-14.41,5.16,;-17.04,5.16,;-18.35,4.37,;-20.97,-.39,;-22.27,.4,;-22.27,1.98,;-23.59,-.39,;-23.59,-1.98,;-22.27,-2.78,;-20.98,-1.98,;-22.27,-4.37,;-24.89,.4,;-26.21,-.39,;-26.21,-1.98,;-27.52,.4,;-27.52,1.99,;-26.21,2.79,;-28.82,-.38,;-30.14,.41,;-30.14,1.99,;-31.43,-.38,;-32.75,.41,;-34.05,-.38,;-34.05,-1.97,;-35.37,.41,;-35.37,2,;-34.05,2.8,;-32.75,1.99,;-31.43,2.79,;-31.43,4.38,;-32.74,5.18,;-34.04,4.39,;-36.67,-.37,;-37.99,.41,;-37.99,2,;-39.29,-.37,;-40.6,.42,;-41.91,-.37,;-41.91,-1.96,;-43.2,.42,;-44.53,-.36,;-45.84,.42,;-45.84,2.01,;-47.14,-.36,;-47.14,-1.95,;-45.84,-2.75,;-45.84,-4.34,;-47.14,-5.14,;-44.54,-5.14,;-48.45,.42,;-49.76,-.36,;-49.76,-1.95,;-51.08,.42,;-51.08,2.02,;-49.74,2.82,;-52.37,-.37,;-53.74,.42,;-53.74,1.96,;-55.06,2.72,;-56.33,1.85,;-57.56,2.78,;-57.06,4.25,;-55.51,4.22,;-55.07,-.36,;-56.41,.42,;-55.07,-1.91,;-39.29,-1.96,;-40.6,-2.76,;-37.99,-2.76,;-31.43,-1.97,;-32.75,-2.77,;-30.14,-2.77,;31.37,-2.06,;32.7,-2.85,;30.07,-2.85,;48.4,.31,;48.4,1.89,;49.72,-.49,;51.02,.3,;51.02,1.89,;52.33,2.69,;53.64,1.89,;52.33,4.28,;52.33,-.49,;52.33,-2.08,;53.64,.3,;54.95,-.5,;54.95,-2.09,;53.64,-2.88,;56.26,-2.88,;56.26,.3,;57.56,-.5,;56.26,1.88,)|
Structure:
