Reaction Details Report a problem with these data
Target
Glucagon receptor
Ligand
BDBM50324711
Substrate
n/a
Meas. Tech.
ChEMBL_651179 (CHEMBL1227944)
EC50
0.077±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:
BDBM50324711
Synonyms:
CHEMBL1222085
Type:
Small organic molecule
Emp. Form.:
C156H231N43O49S
Mol. Mass.:
3524.827
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](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:208.216,180.193,170.177,150.163,135.144,115.122,98.106,76.86,62.70,43.53,30.37,8.12,234.240,wD:199.210,191.197,222.230,176.181,225.233,162.171,144.150,123.135,107.114,87.97,71.74,54.61,39.41,16.28,4.4,242.248,243.251,212.217,(49.79,-5.31,;48.47,-4.51,;48.47,-2.92,;47.17,-2.13,;47.17,-.53,;45.86,.27,;44.55,-.53,;44.55,-2.12,;43.23,.27,;43.23,1.86,;44.55,2.66,;44.55,4.25,;45.86,1.86,;41.93,-.53,;40.61,.27,;40.61,1.86,;39.3,-.52,;39.3,-2.12,;40.61,-2.91,;41.99,-2.27,;43.01,-3.45,;42.24,-4.84,;42.68,-6.28,;41.66,-7.38,;40.18,-7.04,;39.74,-5.59,;40.77,-4.49,;37.99,.28,;36.68,-.52,;36.68,-2.12,;35.37,.28,;35.37,1.87,;36.68,2.67,;36.68,4.26,;35.37,5.05,;38,5.05,;34.05,-.52,;32.75,.28,;32.75,1.87,;31.43,-.52,;30.12,.29,;28.81,-.51,;28.81,-2.11,;27.48,.29,;27.48,1.88,;28.81,2.68,;30.12,1.87,;31.43,2.67,;31.43,4.26,;30.13,5.06,;28.82,4.27,;26.19,-.51,;24.87,.29,;24.87,1.88,;23.57,-.51,;23.57,-2.1,;24.87,-2.89,;26.22,-2.15,;24.83,-4.44,;22.25,.3,;20.94,-.5,;20.94,-2.1,;19.62,.3,;19.62,1.89,;20.94,2.69,;20.94,4.28,;22.29,5.05,;22.29,6.6,;18.32,-.5,;17,.3,;17,1.89,;15.7,-.5,;15.7,-2.09,;14.4,.3,;13.07,-.49,;13.07,-2.09,;11.76,.31,;11.76,1.9,;13.07,2.7,;13.07,4.28,;14.39,5.08,;14.39,6.67,;13.08,7.46,;15.69,7.47,;10.45,-.48,;9.13,.31,;9.13,1.91,;7.82,-.48,;7.82,-2.03,;9.18,-2.81,;9.18,-4.36,;10.52,-5.14,;10.52,-6.69,;11.85,-7.47,;9.16,-7.46,;6.51,.32,;5.22,-.47,;5.22,-2.08,;3.89,.32,;3.89,1.91,;5.24,2.69,;5.24,4.24,;3.89,5.02,;6.58,5.02,;2.59,-.47,;1.28,.33,;1.28,1.92,;-.05,-.46,;-.05,-2.06,;1.28,-2.85,;2.57,-2.06,;1.28,-4.45,;-1.35,.33,;-2.67,-.46,;-2.67,-2.06,;-3.98,.33,;-3.98,1.92,;-2.67,2.72,;-2.67,4.31,;-1.33,1.92,;-5.28,-.46,;-6.6,.34,;-6.6,1.93,;-7.9,-.45,;-7.9,-2.06,;-6.6,-2.85,;-5.29,-2.06,;-3.98,-2.85,;-3.98,-4.44,;-2.66,-5.24,;-5.29,-5.24,;-6.6,-4.44,;-9.22,.34,;-10.53,-.45,;-10.53,-2.05,;-11.84,.34,;-11.84,1.93,;-10.53,2.73,;-10.53,4.32,;-9.23,5.12,;-9.23,6.71,;-13.15,-.45,;-14.46,.35,;-14.46,1.93,;-15.76,-.44,;-15.76,-2.05,;-14.46,-2.84,;-17.1,.35,;-18.39,-.44,;-18.39,-2.04,;-19.7,.35,;-19.7,1.94,;-18.39,2.74,;-17.08,1.94,;-15.77,2.74,;-15.77,4.33,;-14.45,5.13,;-17.09,5.13,;-18.4,4.33,;-21.02,-.44,;-22.33,.36,;-22.33,1.94,;-23.65,-.43,;-23.65,-2.03,;-22.33,-2.83,;-21.03,-2.03,;-22.33,-4.42,;-24.95,.36,;-26.27,-.43,;-26.27,-2.03,;-27.58,.36,;-27.58,1.95,;-26.27,2.75,;-28.88,-.43,;-30.21,.36,;-30.21,1.95,;-31.5,-.43,;-32.82,.37,;-34.13,-.42,;-34.13,-2.02,;-35.44,.37,;-35.44,1.96,;-34.13,2.76,;-32.83,1.96,;-31.5,2.75,;-31.5,4.35,;-32.81,5.15,;-34.12,4.35,;-36.75,-.42,;-38.06,.37,;-38.06,1.96,;-39.38,-.42,;-40.69,.38,;-42,-.41,;-42,-2.01,;-43.29,.38,;-44.62,-.41,;-45.93,.38,;-45.93,1.97,;-47.24,-.41,;-47.24,-2,;-45.93,-2.8,;-45.93,-4.39,;-47.24,-5.19,;-44.63,-5.19,;-48.55,.38,;-49.86,-.41,;-49.86,-2,;-51.19,.38,;-51.19,1.98,;-49.85,2.78,;-52.47,-.41,;-53.83,.38,;-53.83,1.91,;-55.16,2.67,;-56.42,1.81,;-57.66,2.73,;-57.16,4.2,;-55.61,4.17,;-55.18,-.4,;-56.51,.38,;-55.18,-1.95,;-39.38,-2.01,;-40.69,-2.81,;-38.06,-2.81,;-31.5,-2.02,;-32.82,-2.82,;-30.21,-2.82,;31.43,-2.11,;32.75,-2.9,;30.12,-2.9,;48.47,.26,;48.47,1.85,;49.8,-.54,;51.1,.26,;51.1,1.85,;52.42,2.65,;53.73,1.85,;52.42,4.24,;52.42,-.54,;52.42,-2.13,;53.72,.26,;55.03,-.54,;55.03,-2.14,;53.72,-2.93,;56.35,-2.93,;56.35,.26,;57.66,-.55,;56.35,1.84,)|
Structure:
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