Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50324717
Substrate
n/a
Meas. Tech.
ChEMBL_651180 (CHEMBL1227945)
EC50
0.068±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:
BDBM50324717
Synonyms:
CHEMBL1222091
Type:
Small organic molecule
Emp. Form.:
C161H240N44O51S
Mol. Mass.:
3639.958
SMILES:
CC[C@H](C)[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(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r,wU:173.179,145.156,135.140,115.126,100.107,80.85,63.69,41.49,27.33,8.16,196.200,219.225,235.241,250.256,251.259,wD:164.173,156.160,187.193,141.144,190.196,127.134,109.113,88.98,72.77,52.60,36.37,19.24,4.4,2.2,205.209,227.233,243.249,244.252,177.180,(30.83,-4.4,;30.87,-2.85,;29.55,-2.06,;28.24,-2.86,;29.55,-.47,;28.24,.33,;26.94,-.47,;26.94,-2.06,;25.62,.33,;25.62,1.92,;26.94,2.72,;28.25,1.91,;29.55,2.71,;29.56,4.3,;28.25,5.09,;26.94,4.31,;24.32,-.46,;23,.33,;23,1.92,;21.7,-.46,;21.7,-2.05,;23,-2.84,;24.35,-2.11,;22.96,-4.39,;20.39,.34,;19.07,-.46,;19.07,-2.05,;17.76,.34,;17.76,1.93,;19.07,2.73,;19.07,4.32,;20.42,5.09,;20.42,6.63,;16.45,-.45,;15.14,.34,;15.14,1.93,;13.83,-.45,;13.83,-2.04,;12.54,.35,;11.21,-.44,;11.21,-2.04,;9.91,.35,;9.91,1.93,;11.21,2.75,;11.21,4.32,;12.54,5.11,;12.54,6.71,;11.22,7.5,;13.83,7.5,;8.59,-.44,;7.28,.35,;7.28,1.95,;5.97,-.43,;5.97,-2.03,;7.28,-2.83,;7.28,-4.42,;8.61,-5.19,;8.61,-6.73,;9.95,-7.5,;7.28,-7.5,;4.65,.36,;3.37,-.42,;3.37,-2.03,;2.04,.37,;2.04,1.95,;3.39,2.72,;3.39,4.27,;2.04,5.04,;4.71,5.04,;.75,-.42,;-.57,.37,;-.57,1.95,;-1.89,-.42,;-1.89,-2.02,;-.57,-2.81,;.73,-2.02,;-.57,-4.4,;-3.2,.37,;-4.5,-.41,;-4.5,-2.01,;-5.81,.37,;-5.81,1.96,;-4.5,2.76,;-4.5,4.35,;-3.18,1.96,;-7.11,-.41,;-8.43,.38,;-8.43,1.96,;-9.73,-.41,;-9.73,-2.01,;-8.43,-2.8,;-7.12,-2.01,;-5.81,-2.81,;-5.81,-4.4,;-4.49,-5.19,;-7.12,-5.19,;-8.43,-4.39,;-11.05,.38,;-12.37,-.4,;-12.37,-2,;-13.66,.38,;-13.66,1.97,;-12.37,2.77,;-12.37,4.36,;-11.06,5.16,;-11.06,6.75,;-14.98,-.4,;-16.28,.39,;-16.28,1.97,;-17.59,-.4,;-17.59,-2,;-16.28,-2.79,;-18.92,.39,;-20.21,-.39,;-20.21,-1.99,;-21.52,.39,;-21.52,1.98,;-20.21,2.78,;-18.91,1.98,;-17.59,2.78,;-17.59,4.37,;-16.27,5.17,;-18.91,5.17,;-20.22,4.37,;-22.83,-.39,;-24.14,.4,;-24.14,1.98,;-25.46,-.39,;-25.46,-1.98,;-24.14,-2.78,;-22.84,-1.98,;-24.14,-4.37,;-26.76,.4,;-28.08,-.39,;-28.08,-1.98,;-29.39,.4,;-29.39,1.99,;-28.08,2.79,;-30.68,-.38,;-32.01,.41,;-32.01,1.99,;-33.3,-.38,;-34.62,.41,;-35.93,-.38,;-35.93,-1.97,;-37.24,.41,;-37.24,2,;-35.93,2.8,;-34.63,1.99,;-33.3,2.8,;-33.31,4.38,;-34.62,5.19,;-35.92,4.39,;-38.55,-.37,;-39.85,.41,;-39.85,2,;-41.17,-.37,;-42.48,.42,;-43.79,-.37,;-43.79,-1.96,;-45.08,.42,;-46.41,-.36,;-47.72,.42,;-47.72,2.01,;-49.02,-.36,;-49.02,-1.95,;-47.72,-2.75,;-47.72,-4.35,;-49.02,-5.14,;-46.42,-5.14,;-50.33,.42,;-51.64,-.36,;-51.64,-1.95,;-52.97,.43,;-52.97,2.02,;-51.63,2.82,;-54.27,-.36,;-55.6,.42,;-55.6,1.94,;-56.92,2.7,;-58.17,1.84,;-59.4,2.76,;-58.91,4.22,;-57.36,4.19,;-56.94,-.35,;-58.26,.42,;-56.94,-1.89,;-41.17,-1.96,;-42.48,-2.77,;-39.85,-2.76,;-33.3,-1.97,;-34.62,-2.78,;-32.01,-2.77,;30.87,.32,;30.87,1.91,;32.17,-.47,;33.48,.32,;33.48,1.91,;34.82,2.68,;34.82,4.22,;33.48,4.99,;36.15,4.99,;34.79,-.47,;34.79,-2.07,;36.1,.32,;37.41,-.48,;37.41,-2.07,;38.72,-2.86,;40.09,-2.22,;41.12,-3.4,;40.35,-4.79,;40.81,-6.29,;39.8,-7.47,;38.32,-7.13,;37.85,-5.62,;38.87,-4.45,;38.72,.32,;38.72,1.9,;40.03,-.48,;41.33,.31,;41.33,1.9,;42.65,2.7,;42.65,4.29,;43.96,1.9,;42.65,-.48,;42.65,-2.08,;43.96,.31,;45.27,-.49,;45.27,-2.08,;46.57,-2.87,;46.57,-4.46,;47.88,-5.26,;46.57,.31,;46.57,1.89,;47.89,-.49,;49.19,.3,;49.19,1.89,;50.51,2.69,;51.82,1.89,;50.51,4.28,;50.51,-.49,;50.51,-2.09,;51.81,.3,;53.12,-.5,;53.12,-2.09,;51.81,-2.88,;54.44,-2.88,;54.44,.3,;54.44,1.88,;55.75,-.5,;56.96,.2,;56.96,1.61,;55.75,2.32,;58.18,2.32,;58.18,-.5,;59.4,.2,;58.18,-1.91,)|
Structure:
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