Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121788
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.066±n/a nM
Citation
 Asahi, S; Egashira, S; Matsuda, M; Iwaasa, H; Kanatani, A; Ohkubo, M; Ihara, M; Morishima, H Development of an orexin-2 receptor selective agonist, [Ala(11), D-Leu(15)]orexin-B. Bioorg Med Chem Lett 13:111-3 (2002) [PubMed]  Article 
Target
Name:
Orexin receptor type 2
Synonyms:
HCRTR2 | Hypocretin receptor type 2 | OX2R_HUMAN | Orexin receptor type 2 (OR 2) | Orexin receptor type 2 (OR-2) | Orexin receptor type 2 (OX2) | Orexin receptor type 2 (OX2R) | Orexin receptor type 2 (OxR2) | Ox-2-R | Ox2-R
Type:
Protein
Mol. Mass.:
50710.53
Organism:
Homo sapiens (Human)
Description:
O43614
Residue:
444
Sequence:
MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
  
Inhibitor
Name:
BDBM50121788
Synonyms:
CHEMBL441918 | [Ala11]orexin-B
Type:
Small organic molecule
Emp. Form.:
C120H206N44O35S
Mol. Mass.:
2857.258
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |wU:79.79,74.75,68.68,124.125,56.56,41.41,104.104,2.2,8.12,183.185,20.20,88.88,wD:129.129,153.153,115.115,46.45,189.191,36.36,144.144,4.4,96.96,16.16,26.27,168.170,175.178,(18.29,-16.64,;18.29,-18.18,;16.96,-18.95,;15.62,-18.18,;16.96,-20.49,;18.29,-21.26,;19.62,-20.49,;19.62,-18.95,;20.96,-21.26,;20.96,-22.8,;19.62,-23.57,;19.62,-25.11,;18.29,-22.8,;22.29,-20.49,;23.62,-21.26,;23.62,-22.8,;24.96,-20.49,;26.29,-21.26,;27.63,-20.49,;27.63,-18.95,;28.97,-21.26,;30.3,-20.49,;28.97,-22.8,;27.63,-23.57,;27.64,-25.11,;26.31,-25.89,;24.96,-18.95,;26.29,-18.18,;23.62,-18.18,;15.62,-21.26,;15.62,-22.8,;14.29,-20.5,;12.96,-21.27,;11.62,-20.5,;11.62,-18.96,;10.29,-21.27,;8.96,-20.5,;8.96,-18.96,;7.62,-21.27,;7.62,-22.81,;6.29,-20.5,;4.96,-21.27,;4.96,-22.81,;3.62,-20.5,;3.62,-18.96,;2.28,-21.27,;.95,-20.5,;.95,-18.96,;-.38,-18.19,;-1.61,-19.13,;-2.87,-18.26,;-2.44,-16.78,;-.9,-16.74,;-.38,-21.27,;-.38,-22.81,;-1.72,-20.5,;-3.05,-21.27,;-3.05,-22.81,;-4.39,-23.58,;-5.72,-22.81,;-4.39,-25.12,;-4.39,-20.5,;-4.39,-18.96,;-5.72,-21.27,;-7.04,-20.52,;-7.05,-18.97,;-5.71,-18.2,;-8.38,-18.2,;-8.35,-16.68,;-9.64,-15.88,;-9.6,-14.34,;-6.99,-15.94,;-5.68,-16.75,;-6.95,-14.4,;-5.62,-13.63,;-5.62,-12.09,;-4.28,-14.4,;-4.28,-15.94,;-2.94,-13.63,;-2.96,-12.09,;-4.3,-11.33,;-4.31,-9.79,;-5.64,-9.03,;-6.95,-9.82,;-5.65,-7.49,;-1.62,-11.32,;-1.64,-9.78,;-.28,-12.08,;1.05,-11.31,;1.05,-9.77,;2.39,-9,;2.39,-7.46,;3.72,-9.77,;2.39,-12.08,;2.39,-13.62,;3.72,-11.31,;5.05,-12.08,;5.05,-13.62,;6.39,-14.39,;6.39,-15.93,;7.72,-13.62,;6.39,-11.31,;6.39,-9.77,;7.72,-12.08,;9.06,-11.31,;9.06,-9.77,;10.39,-9,;10.39,-7.46,;11.73,-6.71,;13.07,-7.48,;14.4,-6.71,;13.07,-9.02,;10.39,-12.08,;10.39,-13.62,;11.72,-11.3,;13.05,-12.07,;13.05,-13.61,;14.39,-14.38,;14.39,-15.92,;15.72,-16.69,;13.05,-16.69,;14.39,-11.3,;14.39,-9.76,;15.72,-12.08,;17.05,-11.31,;17.05,-9.77,;18.39,-12.08,;18.39,-13.62,;19.73,-11.3,;21.06,-12.07,;21.06,-13.61,;22.4,-14.38,;22.4,-15.92,;23.73,-16.69,;25.07,-15.93,;26.4,-16.7,;25.07,-14.39,;22.4,-11.3,;22.4,-9.76,;23.73,-12.08,;25.07,-11.32,;25.07,-9.78,;23.73,-9.01,;26.4,-9.01,;26.41,-7.47,;27.75,-6.71,;27.76,-5.17,;29.1,-4.41,;29.11,-2.87,;30.43,-5.19,;25.08,-6.69,;23.74,-7.45,;25.09,-5.15,;23.76,-4.38,;23.78,-2.85,;25.11,-2.08,;25.11,-.54,;26.45,-2.85,;22.42,-5.15,;22.42,-6.69,;21.09,-4.37,;19.76,-5.14,;18.43,-4.38,;17.1,-5.15,;18.43,-2.84,;19.67,-1.92,;19.2,-.46,;17.66,-.46,;17.18,-1.92,;15.85,-2.71,;15.87,-4.25,;14.51,-1.96,;14.03,-.5,;12.49,-.5,;12.01,-1.96,;13.26,-2.87,;13.26,-4.41,;14.59,-5.18,;11.92,-5.19,;10.59,-4.42,;9.25,-5.19,;9.25,-6.73,;7.92,-4.42,;6.59,-5.19,;6.59,-6.73,;5.25,-7.5,;5.25,-4.42,;5.25,-2.88,;3.92,-5.19,;2.59,-4.42,;2.59,-2.88,;1.25,-2.11,;1.25,-.57,;-.07,.2,;-1.4,-.57,;-2.73,.2,;-1.4,-2.11,;1.25,-5.19,;-.08,-4.42,;1.25,-6.73,)|
Structure:
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