Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50324708
Substrate
n/a
Meas. Tech.
ChEMBL_651180 (CHEMBL1227945)
EC50
0.57±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:
BDBM50324708
Synonyms:
CHEMBL1222082
Type:
Small organic molecule
Emp. Form.:
C154H225N43O50S
Mol. Mass.:
3510.757
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](CC(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:207.215,179.192,169.176,149.162,134.143,114.121,98.105,76.86,62.70,43.53,30.37,8.12,233.239,wD:198.209,190.196,221.229,175.180,224.232,161.170,143.149,122.134,106.113,87.97,71.74,54.61,39.41,16.28,4.4,241.247,242.250,211.216,(49.77,-5.35,;48.45,-4.56,;48.45,-2.96,;47.15,-2.17,;47.15,-.58,;45.84,.22,;44.53,-.57,;44.53,-2.17,;43.21,.23,;43.21,1.82,;44.53,2.62,;44.53,4.21,;45.84,1.82,;41.91,-.57,;40.59,.23,;40.59,1.82,;39.28,-.57,;39.28,-2.16,;40.59,-2.95,;41.97,-2.31,;42.99,-3.49,;42.22,-4.88,;42.66,-6.32,;41.64,-7.42,;40.16,-7.08,;39.72,-5.64,;40.75,-4.54,;37.97,.23,;36.66,-.56,;36.66,-2.16,;35.35,.24,;35.35,1.83,;36.66,2.63,;36.66,4.21,;35.36,5,;37.98,5.01,;34.04,-.56,;32.73,.24,;32.73,1.83,;31.4,-.56,;30.09,.24,;28.79,-.55,;28.79,-2.15,;27.46,.25,;27.46,1.83,;28.79,2.64,;30.1,1.83,;31.41,2.63,;31.41,4.22,;30.1,5.01,;28.79,4.22,;26.17,-.55,;24.85,.25,;24.85,1.84,;23.55,-.55,;23.55,-2.14,;24.85,-2.93,;26.16,-2.14,;24.85,-4.53,;22.23,.25,;20.92,-.55,;20.92,-2.14,;19.6,.26,;19.6,1.84,;20.92,2.64,;20.92,4.23,;19.61,5.02,;22.24,5.03,;18.3,-.54,;16.98,.26,;16.98,1.85,;15.68,-.54,;15.68,-2.13,;14.38,.26,;13.05,-.53,;13.05,-2.13,;11.74,.26,;11.74,1.85,;13.05,2.66,;13.05,4.24,;14.37,5.04,;14.37,6.63,;13.06,7.42,;15.67,7.42,;10.43,-.53,;9.12,.27,;9.12,1.86,;7.8,-.52,;7.8,-2.12,;9.16,-2.9,;9.16,-4.45,;10.49,-5.23,;11.85,-4.45,;13.18,-5.23,;11.85,-2.9,;6.49,.28,;5.2,-.51,;5.2,-2.12,;3.87,.28,;3.87,1.87,;5.22,2.65,;6.56,1.87,;5.22,4.2,;2.57,-.51,;1.26,.28,;1.26,1.87,;-.06,-.51,;-.06,-2.11,;1.26,-2.9,;2.55,-2.11,;1.26,-4.49,;-1.37,.29,;-2.68,-.5,;-2.68,-2.1,;-4,.29,;-4,1.88,;-2.68,2.68,;-2.68,4.27,;-1.35,1.88,;-5.3,-.5,;-6.62,.29,;-6.62,1.88,;-7.92,-.5,;-7.92,-2.1,;-6.62,-2.89,;-5.31,-2.1,;-4,-2.89,;-3.99,-4.49,;-2.68,-5.29,;-5.3,-5.28,;-6.62,-4.48,;-9.24,.3,;-10.55,-.49,;-10.55,-2.1,;-11.86,.3,;-11.86,1.89,;-10.55,2.69,;-10.55,4.28,;-9.24,5.08,;-9.24,6.67,;-13.17,-.49,;-14.48,.3,;-14.48,1.89,;-15.78,-.49,;-15.78,-2.09,;-14.48,-2.88,;-17.11,.31,;-18.41,-.48,;-18.41,-2.08,;-19.72,.31,;-19.72,1.9,;-18.41,2.7,;-17.1,1.89,;-15.78,2.69,;-15.79,4.28,;-14.47,5.08,;-17.11,5.08,;-18.41,4.29,;-21.04,-.48,;-22.35,.31,;-22.35,1.9,;-23.67,-.48,;-23.67,-2.07,;-22.35,-2.87,;-21.05,-2.07,;-22.35,-4.46,;-24.97,.32,;-26.29,-.47,;-26.29,-2.07,;-27.59,.32,;-27.59,1.91,;-26.29,2.71,;-28.9,-.47,;-30.23,.32,;-30.23,1.91,;-31.52,-.47,;-32.84,.32,;-34.15,-.47,;-34.15,-2.06,;-35.46,.33,;-35.46,1.92,;-34.15,2.72,;-32.84,1.91,;-31.52,2.71,;-31.52,4.3,;-32.83,5.1,;-34.13,4.31,;-36.77,-.46,;-38.08,.33,;-38.08,1.92,;-39.39,-.46,;-40.71,.33,;-42.01,-.46,;-42.01,-2.05,;-43.31,.34,;-44.64,-.45,;-45.95,.34,;-45.95,1.93,;-47.26,-.45,;-47.26,-2.04,;-45.95,-2.84,;-45.95,-4.44,;-47.26,-5.24,;-44.65,-5.23,;-48.57,.34,;-49.88,-.45,;-49.88,-2.04,;-51.2,.34,;-51.2,1.93,;-49.87,2.74,;-52.49,-.45,;-53.84,.33,;-53.84,1.86,;-55.17,2.62,;-56.43,1.76,;-57.67,2.68,;-57.17,4.15,;-55.62,4.12,;-55.19,-.45,;-56.51,.33,;-55.19,-2,;-39.39,-2.05,;-40.71,-2.85,;-38.08,-2.85,;-31.52,-2.06,;-32.84,-2.86,;-30.23,-2.86,;31.4,-2.15,;32.73,-2.94,;30.09,-2.95,;48.45,.22,;48.45,1.81,;49.78,-.58,;51.08,.22,;51.08,1.81,;52.4,2.61,;53.71,1.81,;52.4,4.2,;52.4,-.58,;52.4,-2.18,;53.7,.22,;55.01,-.59,;55.01,-2.18,;53.7,-2.97,;56.33,-2.97,;56.33,.21,;57.67,-.54,;56.33,1.8,)|
Structure:
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