Reaction Details Report a problem with these data
Target
Glucagon receptor
Ligand
BDBM50324725
Substrate
n/a
Meas. Tech.
ChEMBL_651179 (CHEMBL1227944)
EC50
0.058±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 receptor
Synonyms:
GCGR | GL-R | GLR_HUMAN | Glucagon Receptor (GCGR) | Glucagon receptor (GlucR)
Type:
Enzyme
Mol. Mass.:
54026.92
Organism:
Homo sapiens (Human)
Description:
P47871
Residue:
477
Sequence:
MPPCQPQRPLLLLLLLLACQPQVPSAQVMDFLFEKWKLYGDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPANTTANISCPWYLPWHHKVQHRFVFKRCGPDGQWVRGPRGQPWRDASQCQMDGEEIEVQKEVAKMYSSFQVMYTVGYSLSLGALLLALAILGGLSKLHCTRNAIHANLFASFVLKASSVLVIDGLLRTRYSQKIGDDLSVSTWLSDGAVAGCRVAAVFMQYGIVANYCWLLVEGLYLHNLLGLATLPERSFFSLYLGIGWGAPMLFVVPWAVVKCLFENVQCWTSNDNMGFWWILRFPVFLAILINFFIFVRIVQLLVAKLRARQMHHTDYKFRLAKSTLTLIPLLGVHEVVFAFVTDEHAQGTLRSAKLFFDLFLSSFQGLLVAVLYCFLNKEVQSELRRRWHRWRLGKVLWEERNTSNHRASSSPGHGPPSKELQFGRGGGSQDSSAETPLAGGLPRLAESPF
  
Inhibitor
Name:
BDBM50324725
Synonyms:
CHEMBL1222099
Type:
Small organic molecule
Emp. Form.:
C156H228N42O49S
Mol. Mass.:
3507.797
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]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)N[C@@H](Cc2cnc[nH]2)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r,wU:177.185,149.162,139.146,119.132,104.113,84.91,72.75,211.218,62.64,43.53,30.37,8.12,233.240,wD:181.186,168.179,160.166,191.199,145.150,194.202,131.140,113.119,92.104,76.83,200.207,222.229,54.61,39.41,16.28,4.4,241.248,242.251,(14.09,-1.66,;12.78,-.87,;12.78,.73,;11.47,1.51,;11.47,3.11,;10.17,3.91,;8.86,3.11,;8.86,1.52,;7.55,3.91,;7.55,5.49,;8.86,6.29,;8.86,7.88,;10.17,5.49,;6.24,3.11,;4.93,3.91,;4.93,5.5,;3.62,3.11,;3.62,1.52,;4.93,.73,;6.31,1.37,;7.33,.19,;6.56,-1.19,;7.02,-2.69,;6.01,-3.87,;4.54,-3.54,;4.06,-2.03,;5.08,-.85,;2.32,3.91,;1,3.12,;1,1.53,;-.3,3.92,;-.3,5.5,;1,6.3,;1,7.9,;-.3,8.68,;2.32,8.69,;-1.61,3.12,;-2.92,3.92,;-2.92,5.51,;-4.23,3.12,;-5.54,3.92,;-6.85,3.13,;-6.85,1.54,;-8.16,3.93,;-8.16,5.51,;-6.85,6.31,;-5.54,5.51,;-4.23,6.31,;-4.23,7.9,;-5.54,8.7,;-6.84,7.91,;-9.46,3.13,;-10.78,3.93,;-10.78,5.52,;-12.08,3.13,;-12.08,1.54,;-10.78,.75,;-9.46,1.54,;-10.78,-.84,;-13.4,3.93,;-14.71,3.14,;-14.71,1.54,;-16.02,3.94,;-16.02,5.52,;-14.71,6.32,;-14.71,7.91,;-16.04,8.69,;-23.81,11.77,;-30.38,7.89,;-31.73,8.66,;-30.38,6.32,;-31.73,5.55,;-31.73,3.96,;-33.02,3.17,;-34.33,3.97,;-34.33,5.55,;-35.65,3.18,;-35.65,1.58,;-34.33,.79,;-33.04,1.58,;-34.33,-.8,;-36.96,3.97,;-38.27,3.18,;-38.27,1.58,;-39.58,3.97,;-39.58,5.56,;-38.27,6.36,;-38.27,7.94,;-36.94,5.56,;-40.87,3.18,;-42.2,3.97,;-42.2,5.56,;-43.49,3.19,;-43.49,1.59,;-42.2,.8,;-40.89,1.58,;-39.58,.79,;-39.58,-.8,;-38.26,-1.6,;-40.88,-1.59,;-42.19,-.79,;-44.81,3.98,;-46.12,3.19,;-46.12,1.59,;-47.43,3.98,;-47.43,5.57,;-46.12,6.37,;-46.12,7.96,;-44.82,8.76,;-43.45,8.01,;-48.74,3.19,;-50.04,3.98,;-50.04,5.57,;-51.34,3.19,;-51.34,1.6,;-50.04,.81,;-52.67,3.99,;-53.97,3.2,;-53.97,1.61,;-55.27,3.99,;-55.27,5.57,;-53.97,6.37,;-52.66,5.57,;-51.34,6.37,;-51.35,7.96,;-50.03,8.76,;-52.66,8.77,;-53.97,7.97,;-56.59,3.2,;-57.89,3.99,;-57.89,5.58,;-59.21,3.2,;-59.21,1.61,;-57.89,.82,;-56.6,1.61,;-57.89,-.78,;-60.51,4,;-61.83,3.21,;-61.83,1.62,;-63.13,4,;-63.13,5.58,;-61.83,6.38,;-64.43,3.21,;-65.76,4,;-65.76,5.59,;-67.05,3.21,;-68.37,4.01,;-69.67,3.22,;-69.67,1.63,;-70.98,4.01,;-70.98,5.59,;-69.67,6.39,;-68.37,5.59,;-67.05,6.39,;-67.05,7.99,;-68.36,8.78,;-69.66,7.98,;-72.29,3.22,;-73.6,4.01,;-73.6,5.6,;-74.91,3.22,;-76.22,4.01,;-77.53,3.23,;-77.53,1.63,;-78.82,4.02,;-80.15,3.23,;-81.45,4.02,;-81.45,5.61,;-82.76,3.23,;-82.76,1.64,;-81.45,.84,;-81.45,-.75,;-82.76,-1.55,;-80.16,-1.54,;-84.07,4.02,;-85.38,3.23,;-85.38,1.64,;-86.7,4.02,;-86.7,5.61,;-85.36,6.41,;-88,3.23,;-89.35,4.01,;-89.35,5.56,;-90.69,6.33,;-91.96,5.47,;-93.2,6.42,;-92.68,7.9,;-91.11,7.85,;-90.69,3.24,;-92.04,4.01,;-90.69,1.68,;-74.91,1.63,;-76.22,.83,;-73.6,.83,;-67.05,1.62,;-68.37,.82,;-65.76,.83,;-30.4,3.17,;-30.4,1.56,;-29.11,3.96,;-27.8,3.16,;-27.8,1.56,;-26.49,.77,;-26.49,-.82,;-25.17,-1.62,;-25.17,-3.21,;-26.5,-4.01,;-23.88,-4,;-26.49,3.95,;-26.49,5.54,;-25.18,3.16,;-23.87,3.95,;-23.87,5.53,;-22.56,6.34,;-22.56,7.93,;-23.91,8.69,;-25.29,7.91,;-25.32,6.36,;-26.62,8.64,;-22.56,3.15,;-22.56,1.55,;-21.24,3.94,;-19.94,3.14,;-19.94,1.55,;-18.64,3.94,;-18.64,5.52,;-17.32,3.14,;-4.23,1.53,;-2.92,.74,;-5.54,.74,;12.78,3.9,;12.78,5.49,;14.1,3.1,;15.4,3.9,;15.4,5.48,;16.71,6.28,;18.02,5.48,;16.71,7.87,;16.71,3.1,;16.71,1.51,;18.02,3.9,;19.32,3.1,;19.32,1.51,;18.02,.71,;20.63,.72,;20.63,3.89,;21.94,3.09,;20.63,5.48,)|
Structure:
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