Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121791
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.15±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:
BDBM50121791
Synonyms:
CHEMBL410947 | [D-Pro4]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:79.79,74.75,68.68,124.124,56.56,41.41,104.104,2.2,8.12,186.188,20.20,88.88,178.181,wD:132.132,156.156,192.194,115.115,46.45,36.36,147.147,4.4,96.96,16.16,26.27,171.173,(17.34,-18.54,;17.34,-20.08,;16.01,-20.85,;14.67,-20.08,;16.01,-22.39,;17.34,-23.16,;18.67,-22.39,;18.67,-20.85,;20.01,-23.16,;20.01,-24.7,;18.67,-25.47,;18.67,-27.01,;17.34,-24.7,;21.34,-22.39,;22.67,-23.16,;22.67,-24.7,;24.01,-22.39,;25.34,-23.16,;26.67,-22.39,;26.67,-20.85,;28.02,-23.16,;29.35,-22.39,;28.02,-24.7,;26.67,-25.47,;26.68,-27.01,;25.36,-27.79,;24.01,-20.85,;25.34,-20.08,;22.67,-20.08,;14.67,-23.16,;14.67,-24.7,;13.34,-22.4,;12.01,-23.17,;10.67,-22.4,;10.67,-20.86,;9.34,-23.17,;8.01,-22.4,;8.01,-20.86,;6.67,-23.17,;6.67,-24.71,;5.34,-22.4,;4.01,-23.17,;4.01,-24.71,;2.67,-22.4,;2.67,-20.86,;1.33,-23.17,;0,-22.4,;0,-20.86,;-1.34,-20.09,;-2.56,-21.03,;-3.83,-20.16,;-3.39,-18.68,;-1.85,-18.64,;-1.34,-23.17,;-1.34,-24.71,;-2.67,-22.4,;-4,-23.17,;-4,-24.71,;-5.34,-25.48,;-6.67,-24.71,;-5.34,-27.02,;-5.34,-22.4,;-5.34,-20.86,;-6.67,-23.17,;-7.99,-22.42,;-8,-20.87,;-6.66,-20.1,;-9.33,-20.1,;-9.3,-18.59,;-10.59,-17.78,;-10.55,-16.24,;-7.94,-17.84,;-6.63,-18.65,;-7.9,-16.3,;-6.57,-15.53,;-6.57,-13.99,;-5.23,-16.3,;-5.23,-17.84,;-3.9,-15.53,;-3.91,-14,;-5.25,-13.24,;-5.26,-11.69,;-6.59,-10.93,;-7.91,-11.72,;-6.6,-9.39,;-2.57,-13.22,;-2.59,-11.68,;-1.23,-13.99,;.1,-13.22,;.1,-11.68,;1.44,-10.91,;1.44,-9.37,;2.77,-11.68,;1.44,-13.99,;1.44,-15.53,;2.77,-13.21,;4.1,-13.98,;4.1,-15.52,;5.44,-16.29,;5.44,-17.83,;6.77,-15.52,;5.44,-13.21,;5.44,-11.67,;6.77,-13.99,;8.1,-13.22,;8.1,-11.68,;9.44,-10.91,;9.44,-9.37,;10.78,-8.61,;12.12,-9.38,;13.45,-8.61,;12.12,-10.92,;9.44,-13.99,;9.44,-15.53,;10.77,-13.21,;12.1,-13.98,;12.1,-15.52,;13.44,-16.29,;13.44,-17.83,;14.77,-18.6,;12.1,-18.6,;13.44,-13.21,;13.44,-11.67,;14.77,-13.98,;16.1,-13.21,;16.1,-11.67,;17.44,-10.9,;17.44,-9.36,;18.77,-11.67,;17.44,-13.98,;17.44,-15.52,;18.78,-13.21,;20.11,-13.98,;20.11,-15.52,;21.45,-16.29,;21.45,-17.83,;22.78,-18.6,;24.12,-17.83,;25.45,-18.6,;24.12,-16.29,;21.45,-13.21,;21.45,-11.67,;22.78,-13.98,;24.12,-13.22,;24.12,-11.68,;22.78,-10.91,;25.44,-10.91,;25.46,-9.37,;26.8,-8.61,;26.81,-7.07,;28.15,-6.31,;28.16,-4.77,;29.48,-7.09,;24.13,-8.59,;22.79,-9.35,;24.14,-7.05,;22.81,-6.28,;22.82,-4.75,;24.16,-3.98,;24.16,-2.44,;25.49,-4.75,;21.47,-7.05,;21.47,-8.59,;20.14,-6.28,;18.81,-7.05,;17.48,-6.28,;16.15,-7.05,;17.48,-4.74,;18.72,-3.82,;18.25,-2.36,;16.71,-2.36,;16.23,-3.82,;14.9,-4.61,;14.92,-6.15,;13.56,-3.86,;13.08,-2.4,;11.54,-2.4,;11.06,-3.86,;12.31,-4.77,;12.31,-6.31,;13.64,-7.08,;10.97,-7.09,;9.64,-6.32,;8.3,-7.09,;8.3,-8.63,;6.97,-6.32,;5.63,-7.09,;5.63,-8.63,;4.3,-9.4,;4.3,-6.32,;4.3,-4.78,;2.97,-7.09,;1.64,-6.32,;1.64,-4.78,;.3,-4.01,;.3,-2.47,;-1.02,-1.7,;-2.35,-2.47,;-3.68,-1.7,;-2.35,-4.01,;.3,-7.09,;-1.03,-6.32,;.3,-8.63,)|
Structure:
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