Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121761
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.46±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:
BDBM50121761
Synonyms:
CHEMBL441008 | [Ala8]orexin-B
Type:
Small organic molecule
Emp. Form.:
C121H209N43O34S
Mol. Mass.:
2842.287
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](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C)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:79.79,74.75,68.68,124.124,56.56,41.41,104.104,2.2,8.12,182.184,88.88,20.20,wD:132.132,152.152,115.115,46.45,188.190,36.36,147.148,4.4,96.96,16.16,26.27,167.169,174.177,(17.95,-18.26,;17.95,-19.8,;16.62,-20.57,;15.28,-19.8,;16.62,-22.11,;17.95,-22.88,;19.29,-22.11,;19.29,-20.57,;20.63,-22.88,;20.63,-24.42,;19.29,-25.19,;19.29,-26.73,;17.96,-24.42,;21.96,-22.11,;23.29,-22.88,;23.29,-24.42,;24.63,-22.11,;25.96,-22.88,;27.29,-22.11,;27.29,-20.57,;28.63,-22.88,;29.97,-22.11,;28.63,-24.42,;27.29,-25.19,;27.3,-26.73,;25.98,-27.51,;24.63,-20.57,;25.96,-19.8,;23.29,-19.8,;15.28,-22.88,;15.28,-24.42,;13.96,-22.12,;12.63,-22.89,;11.29,-22.12,;11.29,-20.58,;9.96,-22.89,;8.63,-22.12,;8.63,-20.58,;7.29,-22.89,;7.29,-24.43,;5.95,-22.12,;4.62,-22.89,;4.62,-24.43,;3.28,-22.12,;3.28,-20.58,;1.95,-22.89,;.62,-22.12,;.62,-20.58,;-.72,-19.81,;-1.94,-20.75,;-3.21,-19.88,;-2.77,-18.4,;-1.24,-18.36,;-.72,-22.89,;-.72,-24.43,;-2.05,-22.12,;-3.38,-22.89,;-3.38,-24.43,;-4.72,-25.2,;-6.05,-24.43,;-4.72,-26.74,;-4.72,-22.12,;-4.72,-20.58,;-6.06,-22.89,;-7.38,-22.14,;-7.38,-20.59,;-6.05,-19.82,;-8.71,-19.82,;-8.68,-18.31,;-9.97,-17.5,;-9.93,-15.96,;-7.32,-17.56,;-6.01,-18.37,;-7.28,-16.02,;-5.95,-15.25,;-5.95,-13.71,;-4.61,-16.02,;-4.61,-17.56,;-3.28,-15.25,;-3.29,-13.72,;-4.63,-12.96,;-4.64,-11.41,;-5.98,-10.65,;-7.29,-11.44,;-5.98,-9.11,;-1.95,-12.94,;-1.97,-11.4,;-.62,-13.71,;.71,-12.94,;.71,-11.4,;2.05,-10.63,;2.05,-9.09,;3.38,-11.4,;2.05,-13.71,;2.05,-15.25,;3.39,-12.93,;4.72,-13.7,;4.72,-15.24,;6.06,-16.01,;6.06,-17.55,;7.39,-15.24,;6.06,-12.93,;6.06,-11.39,;7.39,-13.71,;8.72,-12.94,;8.72,-11.4,;10.06,-10.63,;10.06,-9.09,;11.4,-8.33,;12.74,-9.1,;14.07,-8.33,;12.74,-10.64,;10.06,-13.71,;10.06,-15.25,;11.39,-12.93,;12.72,-13.7,;12.72,-15.24,;14.06,-16.01,;14.06,-17.55,;15.39,-18.32,;12.72,-18.32,;14.06,-12.93,;14.06,-11.39,;15.39,-13.7,;16.72,-12.93,;16.72,-11.39,;18.06,-10.62,;18.06,-9.08,;19.39,-11.39,;18.06,-13.7,;18.06,-15.24,;19.39,-12.93,;20.72,-13.7,;20.72,-15.24,;22.06,-16.01,;22.06,-17.55,;23.4,-18.32,;24.73,-17.55,;26.07,-18.32,;24.74,-16.01,;22.06,-12.93,;22.06,-11.39,;23.4,-13.7,;24.73,-12.94,;24.74,-11.4,;23.4,-10.63,;26.06,-10.63,;26.07,-9.09,;27.41,-8.33,;24.74,-8.31,;23.4,-9.07,;24.76,-6.77,;23.43,-6,;23.44,-4.47,;24.78,-3.7,;24.78,-2.16,;26.11,-4.47,;22.09,-6.77,;22.09,-8.31,;20.75,-6,;19.42,-6.77,;18.1,-6,;16.77,-6.77,;18.09,-4.46,;19.34,-3.54,;18.86,-2.08,;17.32,-2.08,;16.85,-3.54,;15.52,-4.33,;15.53,-5.87,;14.17,-3.58,;13.7,-2.12,;12.16,-2.12,;11.68,-3.58,;12.93,-4.49,;12.93,-6.03,;14.26,-6.8,;11.59,-6.81,;10.26,-6.04,;8.92,-6.81,;8.92,-8.35,;7.58,-6.04,;6.25,-6.81,;6.25,-8.35,;4.91,-9.12,;4.91,-6.04,;4.91,-4.5,;3.59,-6.81,;2.26,-6.04,;2.26,-4.5,;.92,-3.73,;.92,-2.19,;-.4,-1.42,;-1.74,-2.19,;-3.07,-1.42,;-1.74,-3.73,;.92,-6.81,;-.42,-6.04,;.92,-8.35,)|
Structure:
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