Reaction Details Report a problem with these data
Target
Glucagon-like peptide 1 receptor
Ligand
BDBM50273755
Substrate
n/a
Meas. Tech.
ChEMBL_536038 (CHEMBL991608)
IC50
210±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:
BDBM50273755
Synonyms:
CHEMBL525582
Type:
Small organic molecule
Emp. Form.:
C154H233N41O44
Mol. Mass.:
3362.7461
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)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1)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:129.131,115.122,107.109,137.141,92.93,140.144,146.149,161.164,66.75,49.54,36.41,26.26,8.13,2.2,170.173,186.190,208.214,wD:124.126,96.105,88.89,154.157,78.78,58.62,31.31,17.22,4.4,181.186,200.206,215.221,228.234,(75.4,-7.78,;75.4,-6.23,;76.74,-5.46,;78.07,-6.23,;76.74,-3.93,;75.4,-3.16,;74.07,-3.93,;74.07,-5.47,;72.74,-3.16,;72.74,-1.62,;74.07,-.85,;74.07,.69,;72.73,1.46,;75.4,1.46,;71.4,-3.94,;70.07,-3.16,;70.07,-1.62,;68.73,-3.93,;68.73,-5.47,;70.07,-6.24,;70.07,-7.78,;71.4,-8.56,;71.4,-10.09,;67.4,-3.17,;66.07,-3.94,;66.07,-5.48,;64.74,-3.17,;64.74,-1.63,;63.4,-3.94,;62.07,-3.17,;62.07,-1.63,;60.73,-3.95,;60.73,-5.49,;59.4,-3.18,;58.06,-3.95,;58.06,-5.48,;56.73,-3.18,;56.73,-1.64,;58.06,-.87,;58.06,.67,;56.72,1.45,;59.4,1.44,;55.4,-3.95,;54.07,-3.19,;54.07,-1.64,;52.73,-3.96,;51.4,-3.19,;50.06,-3.96,;50.06,-5.5,;48.73,-3.19,;48.73,-1.65,;50.06,-.88,;50.06,.66,;48.73,1.43,;51.4,1.43,;47.4,-3.97,;46.06,-3.19,;46.06,-1.65,;44.73,-3.96,;44.73,-5.5,;46.06,-6.27,;46.06,-7.81,;47.4,-5.5,;43.39,-3.2,;42.06,-3.97,;42.06,-5.51,;40.73,-3.2,;40.73,-1.66,;42.06,-.89,;43.39,-1.66,;44.72,-.88,;44.72,.65,;46.06,1.43,;43.39,1.42,;42.06,.65,;39.39,-3.97,;38.06,-3.2,;38.06,-1.66,;36.73,-3.98,;36.73,-5.52,;38.06,-6.29,;38.06,-7.83,;39.4,-8.6,;36.73,-8.59,;23.39,-8.61,;22.05,-7.84,;22.06,-6.31,;20.72,-5.53,;20.72,-3.99,;19.39,-3.22,;18.05,-3.99,;18.05,-5.53,;16.72,-3.23,;15.38,-4,;14.05,-3.23,;14.05,-1.68,;12.71,-4,;12.71,-5.54,;14.05,-6.31,;15.38,-5.54,;16.72,-6.3,;16.72,-7.84,;15.38,-8.61,;14.05,-7.84,;11.39,-3.23,;10.05,-4,;10.05,-5.53,;8.71,-3.23,;7.38,-4,;6.05,-3.23,;6.05,-1.69,;4.71,-4,;3.39,-3.24,;2.04,-4.01,;2.04,-5.55,;.72,-3.23,;.72,-1.69,;2.04,-.93,;2.04,.62,;.71,1.39,;3.38,1.38,;-.62,-4.01,;-1.94,-3.24,;-1.94,-1.7,;-3.28,-4.01,;-3.28,-5.55,;-4.62,-3.24,;-5.95,-4.01,;-5.95,-5.55,;-7.28,-3.24,;-8.61,-4.01,;-7.28,-1.7,;-5.95,-.93,;-4.55,-1.55,;-3.52,-.41,;-4.28,.92,;-5.79,.6,;8.72,-1.69,;7.38,-.91,;10.05,-.92,;16.72,-1.68,;15.39,-.91,;18.05,-.92,;22.06,-3.22,;22.06,-1.68,;23.38,-3.99,;24.72,-3.22,;24.72,-1.68,;26.06,-.91,;27.38,-1.68,;26.06,.64,;26.06,-3.99,;26.06,-5.53,;27.39,-3.22,;28.72,-3.99,;28.72,-5.52,;30.05,-6.29,;27.39,-6.29,;30.06,-3.22,;30.06,-1.67,;31.39,-3.98,;32.73,-3.21,;32.73,-1.67,;34.06,-.9,;34.06,-3.98,;34.06,-5.51,;35.39,-3.21,;78.07,-3.16,;78.07,-1.61,;79.4,-3.92,;80.74,-3.15,;80.74,-1.61,;82.07,-.84,;83.4,-1.61,;84.74,-.84,;84.74,.7,;83.4,1.47,;82.07,.7,;82.07,-3.92,;82.07,-5.45,;83.41,-3.15,;84.74,-3.92,;84.74,-5.46,;86.07,-3.14,;86.07,-1.6,;87.41,-3.91,;88.75,-3.14,;88.75,-1.6,;90.07,-.83,;91.48,-1.45,;92.51,-.3,;91.74,1.02,;92.21,2.49,;91.18,3.63,;89.68,3.31,;89.2,1.85,;90.23,.7,;90.07,-3.91,;90.07,-5.45,;91.41,-3.14,;92.74,-3.91,;92.74,-5.45,;94.08,-6.21,;94.08,-7.75,;95.42,-5.45,;94.08,-3.13,;94.08,-1.59,;95.41,-3.91,;96.75,-3.14,;96.75,-1.59,;98.08,-.82,;95.41,-.82,;98.08,-3.9,;98.08,-5.44,;99.42,-3.13,;100.74,-3.9,;100.74,-5.43,;102.08,-6.2,;102.08,-7.74,;103.42,-8.51,;103.42,-10.05,;102.08,-3.13,;102.08,-1.59,;103.42,-3.89,;104.74,-3.12,;106.08,-3.89,;106.08,-5.43,;107.42,-3.12,;108.74,-3.89,;108.74,-5.43,;110.09,-6.2,;110.09,-7.73,;111.42,-8.5,;111.42,-10.04,;110.09,-10.81,;112.76,-10.81,;110.09,-3.12,;111.42,-3.88,;110.09,-1.57,)|
Structure:
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