Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50324718
Substrate
n/a
Meas. Tech.
ChEMBL_651180 (CHEMBL1227945)
EC50
0.087±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:
BDBM50324718
Synonyms:
CHEMBL1222092
Type:
Small organic molecule
Emp. Form.:
C154H228N42O48S
Mol. Mass.:
3467.776
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)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](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:204.212,176.189,166.173,146.159,131.140,111.118,94.102,72.82,58.66,39.49,30.32,8.12,230.236,wD:195.206,187.193,218.226,172.177,221.229,158.167,140.146,119.131,103.110,83.93,67.70,50.57,35.37,16.28,4.4,238.244,239.247,208.213,(49.68,-5.25,;48.36,-4.46,;48.36,-2.87,;47.06,-2.08,;47.06,-.49,;45.75,.31,;44.45,-.48,;44.45,-2.07,;43.13,.32,;43.13,1.9,;44.45,2.7,;44.45,4.28,;45.76,1.9,;41.83,-.48,;40.52,.32,;40.52,1.91,;39.21,-.48,;39.21,-2.07,;40.55,-2.84,;41.97,-2.22,;43.01,-3.37,;42.24,-4.71,;42.71,-6.18,;41.69,-7.33,;40.17,-7.01,;39.69,-5.54,;40.72,-4.39,;37.9,.32,;36.59,-.47,;36.59,-2.06,;35.28,.33,;35.28,1.91,;33.97,-.47,;32.67,.33,;32.67,1.91,;31.35,-.47,;30.05,.33,;28.74,-.46,;28.74,-2.06,;27.43,.34,;27.43,1.92,;28.74,2.72,;30.05,1.92,;31.36,2.71,;31.36,4.3,;30.05,5.11,;28.75,4.3,;26.13,-.46,;24.81,.34,;24.81,1.92,;23.51,-.46,;23.51,-2.05,;24.81,-2.84,;26.17,-2.09,;24.77,-4.39,;22.2,.34,;20.89,-.45,;20.89,-2.05,;19.58,.34,;19.58,1.93,;20.89,2.73,;20.89,4.31,;22.2,5.11,;23.56,4.36,;18.25,-.45,;16.96,.35,;16.96,1.93,;15.64,-.45,;15.64,-2.04,;14.34,.35,;13.03,-.44,;13.03,-2.04,;11.73,.35,;11.73,1.94,;13.03,2.75,;13.03,4.32,;14.35,5.12,;14.35,6.72,;13.03,7.51,;15.65,7.51,;10.42,-.43,;9.1,.36,;9.1,1.95,;7.79,-.43,;7.79,-2.03,;9.1,-2.82,;9.1,-4.41,;10.44,-5.19,;10.44,-6.73,;9.1,-7.51,;11.79,-7.51,;6.48,.37,;5.18,-.42,;5.18,-2.03,;3.87,.37,;3.87,1.96,;5.22,2.73,;5.22,4.28,;3.87,5.07,;6.55,5.07,;2.57,-.42,;1.24,.37,;1.24,1.96,;-.06,-.41,;-.06,-2.01,;1.24,-2.8,;2.55,-2.01,;1.24,-4.39,;-1.36,.38,;-2.67,-.41,;-2.67,-2.01,;-3.99,.38,;-3.99,1.97,;-2.67,2.76,;-2.67,4.35,;-1.36,1.97,;-5.3,-.41,;-6.6,.38,;-6.6,1.97,;-7.9,-.41,;-7.9,-2,;-6.6,-2.79,;-5.29,-2.01,;-3.98,-2.8,;-4,-4.39,;-2.68,-5.19,;-5.3,-5.18,;-6.6,-4.38,;-9.23,.39,;-10.53,-.4,;-10.53,-2,;-11.83,.39,;-11.83,1.97,;-10.53,2.77,;-10.53,4.36,;-9.22,5.17,;-9.22,6.74,;-13.14,-.4,;-14.45,.39,;-14.45,1.98,;-15.76,-.4,;-15.76,-2,;-14.45,-2.78,;-17.08,.4,;-18.37,-.39,;-18.37,-1.98,;-19.69,.4,;-19.69,1.98,;-18.37,2.78,;-17.06,1.98,;-15.77,2.78,;-15.75,4.36,;-14.44,5.16,;-17.07,5.18,;-18.37,4.37,;-20.99,-.39,;-22.3,.4,;-22.3,1.99,;-23.62,-.39,;-23.62,-1.98,;-22.3,-2.77,;-21,-1.98,;-22.3,-4.37,;-24.91,.4,;-26.23,-.38,;-26.23,-1.98,;-27.54,.41,;-27.54,1.99,;-26.23,2.79,;-28.85,-.38,;-30.17,.41,;-30.17,2,;-31.45,-.38,;-32.79,.41,;-34.08,-.37,;-34.08,-1.97,;-35.39,.42,;-35.39,2,;-34.08,2.8,;-32.78,2,;-31.46,2.8,;-31.46,4.38,;-32.78,5.19,;-34.08,4.38,;-36.69,-.37,;-38,.42,;-38,2.01,;-39.33,-.37,;-40.63,.42,;-41.93,-.37,;-41.93,-1.96,;-43.24,.43,;-44.55,-.36,;-45.86,.43,;-45.86,2.01,;-47.17,-.36,;-47.17,-1.95,;-45.86,-2.75,;-45.86,-4.34,;-47.18,-5.14,;-44.56,-5.14,;-48.47,.43,;-49.78,-.36,;-49.78,-1.95,;-51.1,.43,;-51.1,2.02,;-49.78,2.82,;-52.4,-.36,;-53.75,.42,;-53.75,1.95,;-55.07,2.72,;-56.33,1.85,;-57.56,2.78,;-57.06,4.24,;-55.51,4.21,;-55.08,-.35,;-56.41,.42,;-55.08,-1.9,;-39.33,-1.96,;-40.63,-2.76,;-38,-2.76,;-31.45,-1.97,;-32.79,-2.77,;-30.17,-2.77,;31.35,-2.06,;32.67,-2.85,;30.05,-2.85,;48.36,.31,;48.36,1.9,;49.69,-.49,;50.98,.31,;50.98,1.89,;52.3,2.69,;53.61,1.89,;52.3,4.28,;52.3,-.49,;52.3,-2.08,;53.6,.3,;54.91,-.49,;54.91,-2.09,;53.6,-2.88,;56.22,-2.87,;56.22,.3,;57.56,-.45,;56.22,1.89,)|
Structure:
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