Reaction Details Report a problem with these data
Target
Glucagon receptor
Ligand
BDBM50059364
Substrate
n/a
Meas. Tech.
ChEMBL_73016 (CHEMBL681695)
IC50
100±n/a nM
Citation
 Azizeh, BY; Ahn, JM; Caspari, R; Shenderovich, MD; Trivedi, D; Hruby, VJ The role of phenylalanine at position 6 in glucagon's mechanism of biological action: multiple replacement analogues of glucagon. J Med Chem 40:2555-62 (1997) [PubMed]  Article 
Target
Name:
Glucagon receptor
Synonyms:
GL-R | GLR_RAT | Gcgr
Type:
PROTEIN
Mol. Mass.:
55053.40
Organism:
Rattus norvegicus
Description:
ChEMBL_1450588
Residue:
485
Sequence:
MLLTQLHCPYLLLLLVVLSCLPKAPSAQVMDFLFEKWKLYSDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPPNTTANISCPWYLPWYHKVQHRLVFKRCGPDGQWVRGPRGQSWRDASQCQMDDDEIEVQKGVAKMYSSYQVMYTVGYSLSLGALLLALVILLGLRKLHCTRNYIHGNLFASFVLKAGSVLVIDWLLKTRYSQKIGDDLSVSVWLSDGAVAGCRVATVIMQYGIIANYCWLLVEGVYLYSLLSITTFSEKSFFSLYLCIGWGSPLLFVIPWVVVKCLFENVQCWTSNDNMGFWWILRIPVLLAILINFFIFVRIIHLLVAKLRAHQMHYADYKFRLARSTLTLIPLLGVHEVVFAFVTDEHAQGTLRSTKLFFDLFFSSFQGLLVAVLYCFLNKEVQAELLRRWRRWQEGKALQEERMASSHGSHMAPAGTCHGDPCEKLQLMSAGSSSGTGCEPSAKTSLASSLPRLADSPT
  
Inhibitor
Name:
BDBM50059364
Synonyms:
CHEMBL2369985 | [des-His1, D-Phe6, Glu9] glucagon-NH2
Type:
Small organic molecule
Emp. Form.:
C145H223N41O47S
Mol. Mass.:
3324.634
SMILES:
CCCC[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CO)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)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)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(N)=O |wU:42.41,112.113,219.223,189.191,162.163,57.56,96.97,203.207,180.182,145.146,75.75,129.130,29.30,36.37,228.234,wD:35.34,227.231,69.69,4.4,173.175,104.105,154.155,16.21,84.84,8.8,48.47,211.215,118.119,25.25,140.142,(86.13,-.36,;84.69,-.91,;84.45,-2.43,;83.01,-2.97,;82.76,-4.49,;83.95,-5.47,;85.39,-4.92,;85.64,-3.4,;86.59,-5.89,;88.03,-5.35,;89.22,-6.32,;88.97,-7.84,;90.66,-5.77,;91.85,-6.75,;93.29,-6.2,;93.54,-4.68,;94.49,-7.18,;94.24,-8.7,;95.43,-9.67,;95.18,-11.19,;96.38,-12.16,;93.75,-11.74,;95.93,-6.63,;97.12,-7.6,;96.87,-9.12,;98.56,-7.06,;98.81,-5.54,;99.75,-8.03,;101.19,-7.48,;86.34,-7.41,;84.9,-7.96,;87.53,-8.39,;81.32,-5.04,;81.07,-6.56,;80.13,-4.06,;78.69,-4.61,;78.44,-6.13,;77,-6.68,;79.63,-7.1,;77.5,-3.64,;77.74,-2.12,;76.06,-4.18,;74.86,-3.21,;75.11,-1.69,;76.55,-1.14,;73.42,-3.76,;73.18,-5.28,;72.23,-2.78,;70.79,-3.33,;70.54,-4.85,;71.74,-5.82,;71.49,-7.34,;70.05,-7.89,;72.68,-8.32,;69.6,-2.35,;70.69,-1.27,;68.16,-2.9,;66.96,-1.93,;67.21,-.41,;68.65,.14,;69.84,-.83,;71.28,-.29,;71.53,1.23,;72.97,1.78,;70.34,2.21,;68.9,1.66,;65.52,-2.47,;65.28,-3.99,;64.33,-1.5,;62.89,-2.05,;62.64,-3.57,;61.2,-4.11,;61.7,-1.07,;61.94,.45,;60.26,-1.62,;59.07,-.64,;59.31,.88,;58.12,1.85,;58.37,3.37,;57.17,4.34,;57.42,5.86,;57.63,-1.19,;57.38,-2.71,;56.43,-.22,;54.99,-.76,;54.75,-2.28,;53.31,-2.83,;52.11,-1.86,;50.67,-2.4,;50.43,-3.92,;48.99,-4.47,;51.62,-4.9,;53.06,-4.35,;53.8,.21,;54.05,1.73,;52.36,-.34,;51.17,.64,;51.41,2.16,;50.22,3.13,;48.78,2.59,;50.47,4.65,;49.73,.09,;49.48,-1.43,;48.53,1.07,;47.09,.52,;46.85,-1,;45.41,-1.55,;45.16,-3.07,;44.21,-.57,;45.9,1.49,;46.15,3.01,;44.46,.95,;43.27,1.92,;43.51,3.44,;42.32,4.41,;41.83,1.37,;41.58,-.15,;40.64,2.35,;39.2,1.8,;38.95,.28,;37.51,-.26,;37.26,-1.78,;35.82,-2.33,;35.57,-3.85,;36.77,-4.82,;34.14,-4.4,;38,2.78,;38.25,4.3,;36.56,2.23,;35.37,3.2,;35.62,4.72,;37.06,5.27,;37.3,6.79,;38.74,7.34,;38.99,8.86,;37.8,9.83,;40.43,9.4,;33.93,2.66,;33.68,1.14,;32.74,3.63,;31.3,3.08,;31.05,1.56,;30.1,4.06,;30.35,5.58,;28.66,3.51,;27.47,4.49,;27.72,6.01,;26.52,6.98,;26.77,8.5,;28.21,9.05,;25.58,9.47,;26.03,3.94,;25.78,2.42,;24.84,4.91,;23.4,4.37,;23.15,2.85,;24.34,1.87,;24.1,.35,;25.83,1.47,;22.2,5.34,;22.45,6.86,;20.77,4.79,;19.57,5.77,;19.82,7.29,;18.63,8.26,;17.19,7.72,;15.99,8.69,;16.24,10.21,;17.68,10.76,;18.87,9.78,;18.13,5.22,;17.89,3.7,;16.94,6.2,;15.5,5.65,;15.25,4.13,;16.45,3.16,;13.81,3.58,;14.31,6.62,;14.55,8.14,;12.87,6.08,;11.67,7.05,;11.92,8.57,;10.73,9.55,;10.97,11.07,;12.41,11.61,;9.78,12.04,;10.23,6.5,;9.99,4.98,;9.04,7.48,;7.6,6.93,;6.41,7.91,;6.65,9.43,;8.03,10.12,;7.79,11.64,;6.27,11.89,;5.44,13.18,;3.9,13.11,;3.2,11.74,;4.03,10.44,;5.57,10.52,;7.35,5.41,;5.91,4.87,;8.55,4.44,;8.3,2.92,;6.86,2.37,;6.61,.85,;7.81,-.12,;5.17,.31,;9.49,1.94,;10.93,2.49,;9.25,.42,;10.44,-.55,;11.88,-0,;13.07,-.98,;14.51,-.43,;15.71,-1.4,;10.19,-2.07,;8.75,-2.62,;11.39,-3.04,;11.14,-4.56,;9.7,-5.11,;9.45,-6.63,;8.01,-7.18,;10.65,-7.6,;12.33,-5.54,;13.77,-4.99,;12.08,-7.06,;13.28,-8.03,;14.72,-7.48,;15.91,-8.46,;14.96,-5.96,;13.03,-9.55,;11.59,-10.1,;14.22,-10.53,)|
Structure:
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