Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121806
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.2±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:
BDBM50121806
Synonyms:
CHEMBL265907 | [Ala9]orexin-B
Type:
Small organic molecule
Emp. Form.:
C124H214N44O35S
Mol. Mass.:
2913.365
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)N[C@@H](C)C(=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:79.79,74.75,68.68,124.124,56.56,41.41,104.104,2.2,8.12,187.189,20.20,88.88,wD:132.132,157.157,193.195,115.115,46.45,36.36,148.148,4.4,96.96,16.16,26.27,172.174,179.182,143.144,(17.61,-17.46,;17.61,-19,;16.28,-19.77,;14.94,-19,;16.28,-21.31,;17.61,-22.08,;18.94,-21.3,;18.94,-19.77,;20.28,-22.07,;20.28,-23.61,;18.94,-24.38,;18.94,-25.92,;17.61,-23.61,;21.61,-21.3,;22.94,-22.08,;22.94,-23.62,;24.28,-21.31,;25.61,-22.08,;26.95,-21.3,;26.95,-19.76,;28.29,-22.07,;29.62,-21.3,;28.29,-23.61,;26.95,-24.38,;26.96,-25.92,;25.63,-26.7,;24.28,-19.77,;25.61,-19,;22.94,-19,;14.94,-22.08,;14.94,-23.62,;13.61,-21.31,;12.28,-22.08,;10.94,-21.31,;10.94,-19.77,;9.61,-22.08,;8.28,-21.31,;8.28,-19.77,;6.94,-22.08,;6.94,-23.62,;5.61,-21.31,;4.28,-22.08,;4.28,-23.62,;2.94,-21.31,;2.94,-19.77,;1.61,-22.08,;.28,-21.31,;.28,-19.77,;-1.06,-19.01,;-2.29,-19.95,;-3.55,-19.07,;-3.12,-17.6,;-1.58,-17.56,;-1.06,-22.08,;-1.06,-23.62,;-2.4,-21.31,;-3.73,-22.08,;-3.73,-23.62,;-5.07,-24.39,;-6.4,-23.62,;-5.07,-25.93,;-5.07,-21.31,;-5.07,-19.77,;-6.4,-22.08,;-7.72,-21.33,;-7.73,-19.78,;-6.39,-19.02,;-9.06,-19.01,;-9.03,-17.5,;-10.32,-16.69,;-10.28,-15.16,;-7.66,-16.75,;-6.35,-17.56,;-7.63,-15.22,;-6.3,-14.45,;-6.3,-12.91,;-4.96,-15.22,;-4.96,-16.76,;-3.62,-14.45,;-3.64,-12.91,;-4.98,-12.15,;-4.99,-10.6,;-6.32,-9.85,;-7.63,-10.63,;-6.33,-8.3,;-2.29,-12.13,;-2.32,-10.59,;-.96,-12.9,;.37,-12.13,;.37,-10.59,;1.71,-9.82,;1.71,-8.28,;3.04,-10.59,;1.71,-12.9,;1.71,-14.44,;3.04,-12.13,;4.37,-12.9,;4.37,-14.44,;5.71,-15.21,;5.71,-16.75,;7.04,-14.44,;5.71,-12.13,;5.71,-10.59,;7.05,-12.9,;8.38,-12.13,;8.38,-10.59,;9.72,-9.82,;9.72,-8.28,;11.06,-7.53,;12.39,-8.3,;13.72,-7.53,;12.39,-9.83,;9.72,-12.9,;9.72,-14.44,;11.04,-12.12,;12.37,-12.89,;12.37,-14.43,;13.71,-15.2,;13.71,-16.74,;15.04,-17.51,;12.37,-17.51,;13.71,-12.12,;13.71,-10.58,;15.04,-12.89,;16.37,-12.12,;16.37,-10.58,;17.71,-9.81,;17.71,-8.27,;19.05,-10.58,;17.71,-12.89,;17.71,-14.43,;19.05,-12.12,;20.38,-12.89,;20.38,-14.43,;21.72,-15.2,;21.72,-16.74,;23.05,-17.51,;24.39,-16.74,;25.72,-17.51,;24.39,-15.2,;21.72,-12.12,;21.72,-10.58,;23.05,-12.89,;24.39,-12.14,;25.72,-12.91,;24.39,-10.59,;23.06,-9.82,;25.72,-9.82,;25.73,-8.29,;27.07,-7.53,;27.08,-5.98,;28.42,-5.22,;28.43,-3.69,;29.75,-6.01,;24.4,-7.5,;23.06,-8.26,;24.41,-5.96,;23.08,-5.19,;23.1,-3.67,;24.44,-2.9,;24.44,-1.36,;25.77,-3.67,;21.74,-5.96,;21.74,-7.5,;20.41,-5.19,;19.08,-5.96,;17.75,-5.19,;16.42,-5.97,;17.75,-3.65,;18.99,-2.74,;18.52,-1.28,;16.98,-1.28,;16.5,-2.74,;15.17,-3.52,;15.19,-5.06,;13.83,-2.77,;13.35,-1.31,;11.81,-1.31,;11.33,-2.77,;12.58,-3.69,;12.58,-5.23,;13.92,-6,;11.24,-6.01,;9.91,-5.24,;8.57,-6.01,;8.57,-7.55,;7.24,-5.24,;5.91,-6.01,;5.91,-7.55,;4.57,-8.32,;4.57,-5.24,;4.57,-3.7,;3.24,-6.01,;1.91,-5.24,;1.91,-3.7,;.57,-2.93,;.57,-1.39,;-.75,-.62,;-2.08,-1.38,;-3.41,-.61,;-2.08,-2.92,;.57,-6.01,;-.76,-5.23,;.57,-7.55,)|
Structure:
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