Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50273760
Substrate
n/a
Meas. Tech.
ChEMBL_536039 (CHEMBL991609)
EC50
0.003802±n/a nM
Citation
 Murage, EN; Schroeder, JC; Beinborn, M; Ahn, JM Search for alpha-helical propensity in the receptor-bound conformation of glucagon-like peptide-1. Bioorg Med Chem 16:10106-12 (2008) [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:
BDBM50273760
Synonyms:
CHEMBL503491
Type:
Small organic molecule
Emp. Form.:
C157H240N42O46
Mol. Mass.:
3451.8393
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](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(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:156.158,142.149,134.136,164.168,119.120,167.171,105.110,95.98,71.80,54.59,36.41,26.26,8.13,2.2,176.178,192.195,214.219,wD:151.153,123.132,113.116,101.102,83.92,63.67,45.50,31.31,17.22,4.4,187.191,206.211,221.226,234.239,(76.93,-6.56,;76.93,-5.02,;78.26,-4.25,;79.6,-5.02,;78.26,-2.71,;76.93,-1.94,;75.6,-2.71,;75.6,-4.25,;74.26,-1.94,;74.26,-.4,;75.6,.37,;75.6,1.91,;74.26,2.68,;76.93,2.68,;72.92,-2.71,;71.59,-1.94,;71.59,-.4,;70.26,-2.71,;70.26,-4.25,;71.59,-5.02,;71.59,-6.56,;72.92,-7.33,;72.92,-8.87,;68.93,-1.94,;67.59,-2.71,;67.59,-4.25,;66.25,-1.94,;66.25,-.4,;64.92,-2.71,;63.59,-1.94,;63.59,-.4,;62.25,-2.71,;62.25,-4.25,;60.91,-1.94,;59.58,-2.71,;59.58,-4.25,;58.25,-1.94,;58.25,-.4,;59.58,.37,;59.58,1.91,;58.25,2.68,;60.91,2.68,;56.92,-2.71,;55.58,-1.94,;55.58,-.4,;54.24,-2.71,;54.24,-4.25,;55.58,-5.02,;55.58,-6.56,;54.24,-7.33,;56.92,-7.33,;52.91,-1.94,;51.58,-2.71,;51.58,-4.25,;50.24,-1.94,;50.24,-.4,;51.58,.37,;51.58,1.91,;50.24,2.68,;52.91,2.68,;48.91,-2.71,;47.57,-1.94,;47.57,-.4,;46.24,-2.71,;46.24,-4.25,;47.57,-5.02,;47.57,-6.56,;48.91,-4.25,;44.9,-1.94,;43.57,-2.71,;43.57,-4.25,;42.23,-1.94,;42.23,-.4,;43.57,.37,;44.9,-.4,;46.23,.38,;46.23,1.92,;47.56,2.69,;44.9,2.69,;43.56,1.92,;40.9,-2.71,;39.56,-1.94,;39.56,-.4,;38.23,-2.71,;38.23,-4.25,;39.56,-5.02,;39.56,-6.56,;40.9,-7.33,;40.9,-8.87,;39.57,-9.64,;39.57,-11.17,;38.24,-8.87,;36.9,-1.94,;35.56,-2.71,;35.56,-4.25,;34.22,-1.94,;34.22,-.4,;35.56,.37,;32.89,-2.71,;31.56,-1.94,;31.56,-.4,;30.23,-2.71,;28.89,-1.94,;27.55,-2.71,;27.55,-4.25,;26.22,-1.94,;26.22,-.4,;27.55,.37,;28.89,-.4,;27.55,1.91,;24.89,-2.71,;23.55,-1.94,;23.55,-.4,;22.21,-2.71,;22.21,-4.25,;23.55,-5.02,;20.88,-1.94,;19.55,-2.71,;19.55,-4.25,;18.22,-1.94,;16.88,-2.71,;15.54,-1.94,;15.54,-.4,;14.21,-2.71,;14.21,-4.25,;15.54,-5.02,;16.88,-4.25,;18.22,-5.01,;18.22,-6.55,;16.88,-7.32,;15.54,-6.56,;12.88,-1.94,;11.54,-2.71,;11.54,-4.25,;10.21,-1.94,;8.87,-2.71,;7.54,-1.94,;7.54,-.4,;6.2,-2.71,;4.87,-1.94,;3.53,-2.71,;3.53,-4.25,;2.2,-1.94,;2.2,-.4,;3.53,.37,;3.53,1.91,;2.2,2.68,;4.87,2.68,;.86,-2.71,;-.47,-1.94,;-.47,-.4,;-1.8,-2.71,;-1.8,-4.25,;-3.14,-1.94,;-4.47,-2.71,;-4.47,-4.25,;-5.81,-1.94,;-7.14,-2.71,;-5.81,-.4,;-4.47,.37,;-3.07,-.25,;-2.03,.9,;-2.81,2.23,;-4.32,1.9,;10.21,-.4,;8.87,.37,;11.54,.37,;18.22,-.4,;16.88,.37,;19.55,.37,;30.23,-4.25,;31.56,-5.02,;28.89,-5.02,;79.6,-1.94,;79.6,-.4,;80.94,-2.71,;82.27,-1.94,;82.27,-.4,;83.6,.37,;84.94,-.4,;86.27,.38,;86.26,1.92,;84.93,2.69,;83.6,1.92,;83.6,-2.71,;83.6,-4.25,;84.94,-1.94,;86.27,-2.71,;86.27,-4.25,;87.61,-1.94,;87.61,-.4,;88.94,-2.71,;90.27,-1.94,;90.27,-.4,;91.61,.37,;93.01,-.25,;94.04,.9,;93.27,2.23,;93.74,3.7,;92.71,4.84,;91.21,4.52,;90.73,3.05,;91.76,1.91,;91.61,-2.71,;91.61,-4.25,;92.94,-1.94,;94.28,-2.71,;94.28,-4.25,;95.61,-5.02,;95.61,-6.56,;96.95,-4.25,;95.61,-1.94,;95.61,-.4,;96.95,-2.71,;98.28,-1.94,;98.28,-.4,;99.62,.37,;96.95,.37,;99.62,-2.71,;99.62,-4.25,;100.95,-1.94,;102.29,-2.71,;102.29,-4.25,;103.62,-5.02,;103.62,-6.56,;104.95,-7.33,;104.95,-8.87,;103.62,-1.94,;103.62,-.4,;104.95,-2.71,;106.29,-1.94,;107.63,-2.71,;107.63,-4.25,;108.96,-1.94,;110.29,-2.71,;110.29,-4.25,;111.62,-5.02,;111.62,-6.56,;112.97,-7.33,;112.97,-8.87,;111.62,-9.64,;114.3,-9.64,;111.62,-1.94,;112.97,-2.71,;111.62,-.4,)|
Structure:
Search PDB for entries with ligand similarity: