Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121785
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.41±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:
BDBM50121785
Synonyms:
CHEMBL411174 | [D-Arg13]orexin-B
Type:
Small organic molecule
Emp. Form.:
C123H212N44O35S
Mol. Mass.:
2899.338
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](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:74.75,68.68,124.124,56.56,41.41,2.2,8.12,186.188,88.88,20.20,79.79,wD:132.132,156.156,46.45,192.194,115.115,36.36,104.104,4.4,147.147,96.96,16.16,26.27,171.173,178.181,(18.15,-18.4,;18.15,-19.94,;16.82,-20.71,;15.48,-19.94,;16.82,-22.25,;18.15,-23.02,;19.49,-22.25,;19.49,-20.71,;20.83,-23.02,;20.83,-24.56,;19.49,-25.33,;19.49,-26.87,;18.16,-24.56,;22.16,-22.25,;23.49,-23.02,;23.49,-24.56,;24.83,-22.25,;26.16,-23.02,;27.49,-22.25,;27.49,-20.71,;28.83,-23.02,;30.17,-22.25,;28.83,-24.56,;27.49,-25.33,;27.5,-26.87,;26.18,-27.65,;24.83,-20.71,;26.16,-19.94,;23.49,-19.94,;15.48,-23.02,;15.48,-24.56,;14.16,-22.26,;12.83,-23.03,;11.49,-22.26,;11.49,-20.72,;10.16,-23.03,;8.83,-22.26,;8.83,-20.72,;7.49,-23.03,;7.49,-24.57,;6.15,-22.26,;4.82,-23.03,;4.82,-24.57,;3.48,-22.26,;3.48,-20.72,;2.15,-23.03,;.82,-22.26,;.82,-20.72,;-.52,-19.95,;-1.74,-20.89,;-3.01,-20.01,;-2.57,-18.54,;-1.04,-18.5,;-.52,-23.03,;-.52,-24.57,;-1.85,-22.26,;-3.18,-23.03,;-3.18,-24.57,;-4.52,-25.34,;-5.85,-24.57,;-4.52,-26.88,;-4.52,-22.26,;-4.52,-20.72,;-5.86,-23.03,;-7.18,-22.27,;-7.18,-20.73,;-5.85,-19.96,;-8.52,-19.96,;-8.48,-18.44,;-9.77,-17.64,;-9.73,-16.1,;-7.12,-17.7,;-5.81,-18.51,;-7.08,-16.16,;-5.75,-15.39,;-5.75,-13.85,;-4.41,-16.16,;-4.41,-17.7,;-3.08,-15.39,;-3.09,-13.85,;-4.43,-13.09,;-4.44,-11.55,;-5.78,-10.79,;-7.09,-11.57,;-5.78,-9.25,;-1.75,-13.08,;-1.77,-11.54,;-.42,-13.84,;.91,-13.07,;.91,-11.53,;2.25,-10.76,;2.25,-9.22,;3.58,-11.53,;2.25,-13.84,;2.25,-15.38,;3.59,-13.07,;4.92,-13.84,;4.92,-15.38,;6.26,-16.15,;6.26,-17.69,;7.59,-15.38,;6.26,-13.07,;6.26,-11.53,;7.59,-13.84,;8.92,-13.07,;8.92,-11.53,;10.26,-10.76,;10.26,-9.22,;11.6,-8.47,;12.93,-9.24,;14.27,-8.47,;12.94,-10.78,;10.26,-13.84,;10.26,-15.38,;11.59,-13.06,;12.92,-13.83,;12.92,-15.37,;14.26,-16.14,;14.26,-17.68,;15.59,-18.45,;12.92,-18.45,;14.26,-13.06,;14.26,-11.52,;15.59,-13.83,;16.92,-13.06,;16.92,-11.52,;18.26,-10.75,;18.26,-9.21,;19.59,-11.52,;18.26,-13.83,;18.26,-15.37,;19.59,-13.06,;20.92,-13.83,;20.92,-15.37,;22.26,-16.14,;22.26,-17.68,;23.6,-18.45,;24.93,-17.68,;26.27,-18.45,;24.94,-16.15,;22.26,-13.06,;22.26,-11.52,;23.6,-13.83,;24.93,-13.08,;24.94,-11.53,;23.6,-10.77,;26.26,-10.77,;26.28,-9.23,;27.62,-8.47,;27.62,-6.92,;28.96,-6.17,;28.98,-4.63,;30.29,-6.95,;24.94,-8.44,;23.61,-9.2,;24.96,-6.9,;23.63,-6.13,;23.64,-4.61,;24.98,-3.84,;24.98,-2.3,;26.31,-4.61,;22.29,-6.9,;22.29,-8.44,;20.96,-6.13,;19.62,-6.9,;18.3,-6.13,;16.97,-6.91,;18.29,-4.59,;19.54,-3.68,;19.06,-2.22,;17.52,-2.22,;17.05,-3.68,;15.72,-4.47,;15.73,-6.01,;14.37,-3.72,;13.9,-2.26,;12.36,-2.26,;11.88,-3.72,;13.13,-4.63,;13.13,-6.17,;14.46,-6.94,;11.79,-6.95,;10.46,-6.18,;9.12,-6.95,;9.12,-8.49,;7.78,-6.18,;6.45,-6.95,;6.45,-8.49,;5.11,-9.26,;5.11,-6.18,;5.11,-4.64,;3.79,-6.95,;2.46,-6.18,;2.46,-4.64,;1.12,-3.87,;1.12,-2.33,;-.2,-1.56,;-1.54,-2.33,;-2.87,-1.56,;-1.54,-3.86,;1.12,-6.95,;-.22,-6.18,;1.12,-8.49,)|
Structure:
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