Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50324707
Substrate
n/a
Meas. Tech.
ChEMBL_651180 (CHEMBL1227945)
EC50
0.12±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:
BDBM50324707
Synonyms:
CHEMBL1222081
Type:
Small organic molecule
Emp. Form.:
C154H227N43O51S2
Mol. Mass.:
3560.838
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](CCS(O)(=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:209.217,181.194,171.178,151.164,136.145,116.123,98.107,76.86,62.70,43.53,30.37,8.12,235.241,wD:200.211,192.198,223.231,177.182,226.234,163.172,145.151,124.136,108.115,87.97,71.74,54.61,39.41,16.28,4.4,243.249,244.252,213.218,(49.74,-5.28,;48.43,-4.49,;48.43,-2.89,;47.12,-2.1,;47.12,-.51,;45.81,.29,;44.51,-.51,;44.51,-2.1,;43.19,.29,;43.19,1.88,;44.51,2.68,;44.51,4.27,;45.82,1.88,;41.89,-.5,;40.57,.3,;40.57,1.88,;39.26,-.5,;39.26,-2.09,;40.57,-2.88,;41.95,-2.24,;42.97,-3.43,;42.2,-4.81,;42.64,-6.25,;41.62,-7.35,;40.14,-7.01,;39.7,-5.57,;40.73,-4.47,;37.95,.3,;36.64,-.5,;36.64,-2.09,;35.33,.3,;35.33,1.89,;36.64,2.69,;36.64,4.28,;35.34,5.07,;37.96,5.07,;34.02,-.49,;32.72,.31,;32.72,1.89,;31.4,-.49,;30.09,.31,;28.78,-.49,;28.78,-2.08,;27.46,.31,;27.46,1.9,;28.78,2.7,;30.09,1.9,;31.4,2.69,;31.4,4.28,;30.09,5.08,;28.79,4.29,;26.17,-.48,;24.84,.32,;24.84,1.9,;23.55,-.48,;23.55,-2.08,;24.84,-2.86,;26.16,-2.08,;24.84,-4.46,;22.23,.32,;20.92,-.48,;20.92,-2.07,;19.6,.32,;19.6,1.91,;20.92,2.71,;20.92,4.3,;19.61,5.09,;22.23,5.09,;18.29,-.48,;16.99,.33,;16.99,1.91,;15.68,-.47,;15.68,-2.07,;14.38,.33,;13.06,-.46,;13.06,-2.06,;11.75,.33,;11.75,1.92,;13.06,2.73,;13.06,4.31,;14.38,5.1,;14.38,6.69,;13.06,7.48,;15.68,7.49,;10.43,-.46,;9.11,.33,;9.11,1.93,;7.8,-.46,;7.8,-2.06,;9.16,-2.83,;9.16,-4.38,;10.49,-5.16,;10.49,-6.71,;11.85,-7.49,;9.16,-7.49,;6.49,.35,;5.2,-.44,;5.2,-2.05,;3.87,.35,;3.87,1.94,;5.22,2.71,;5.22,4.26,;4.44,5.62,;6.56,5.04,;3.67,4.28,;2.57,-.44,;1.26,.35,;1.26,1.94,;-.06,-.44,;-.06,-2.04,;1.26,-2.83,;2.56,-2.04,;1.26,-4.42,;-1.37,.35,;-2.68,-.44,;-2.68,-2.04,;-3.99,.36,;-3.99,1.94,;-2.68,2.75,;-2.68,4.33,;-1.35,1.94,;-5.29,-.43,;-6.61,.36,;-6.61,1.95,;-7.91,-.43,;-7.91,-2.03,;-6.61,-2.82,;-5.3,-2.03,;-3.99,-2.83,;-3.99,-4.42,;-2.67,-5.22,;-5.3,-5.21,;-6.61,-4.41,;-9.23,.36,;-10.54,-.43,;-10.54,-2.03,;-11.85,.37,;-11.85,1.95,;-10.54,2.75,;-10.54,4.34,;-9.23,5.14,;-9.23,6.73,;-13.16,-.42,;-14.47,.37,;-14.47,1.96,;-15.77,-.42,;-15.77,-2.02,;-14.47,-2.81,;-17.1,.37,;-18.4,-.42,;-18.4,-2.01,;-19.7,.38,;-19.7,1.96,;-18.4,2.76,;-17.09,1.96,;-15.77,2.76,;-15.77,4.35,;-14.46,5.15,;-17.09,5.15,;-18.4,4.35,;-21.02,-.41,;-22.33,.38,;-22.33,1.97,;-23.65,-.41,;-23.65,-2,;-22.33,-2.8,;-21.03,-2,;-22.33,-4.39,;-24.95,.38,;-26.27,-.41,;-26.27,-2,;-27.57,.39,;-27.57,1.97,;-26.27,2.77,;-28.88,-.4,;-30.21,.39,;-30.21,1.98,;-31.5,-.4,;-32.82,.39,;-34.12,-.4,;-34.12,-1.99,;-35.44,.39,;-35.44,1.98,;-34.12,2.78,;-32.82,1.98,;-31.5,2.78,;-31.5,4.37,;-32.81,5.17,;-34.11,4.37,;-36.74,-.4,;-38.05,.4,;-38.05,1.98,;-39.37,-.39,;-40.68,.4,;-41.98,-.39,;-41.98,-1.98,;-43.28,.4,;-44.61,-.39,;-45.92,.41,;-45.92,1.99,;-47.23,-.38,;-47.23,-1.98,;-45.92,-2.77,;-45.92,-4.37,;-47.22,-5.17,;-44.62,-5.16,;-48.54,.41,;-49.85,-.38,;-49.85,-1.97,;-51.17,.41,;-51.17,2,;-49.83,2.8,;-52.47,-.38,;-53.81,.4,;-53.81,1.93,;-55.14,2.7,;-56.4,1.83,;-57.64,2.76,;-57.14,4.22,;-55.59,4.19,;-55.16,-.37,;-56.48,.4,;-55.16,-1.92,;-39.37,-1.99,;-40.68,-2.79,;-38.05,-2.78,;-31.5,-1.99,;-32.82,-2.8,;-30.21,-2.79,;31.4,-2.08,;32.72,-2.87,;30.09,-2.88,;48.43,.29,;48.43,1.88,;49.76,-.51,;51.05,.29,;51.05,1.87,;52.37,2.67,;53.68,1.87,;52.37,4.26,;52.37,-.52,;52.37,-2.11,;53.67,.28,;54.98,-.52,;54.98,-2.11,;53.67,-2.9,;56.3,-2.9,;56.3,.28,;57.64,-.47,;56.3,1.87,)|
Structure:
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