Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121775
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.084±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:
BDBM50121775
Synonyms:
CHEMBL438036 | [D-Leu7]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:79.79,74.75,68.68,124.124,156.156,56.56,41.41,104.104,2.2,8.12,186.188,88.88,20.20,wD:192.194,115.115,46.45,147.147,36.36,4.4,96.96,16.16,26.27,171.173,178.181,132.132,(18.08,-18.33,;18.08,-19.87,;16.75,-20.64,;15.41,-19.87,;16.75,-22.18,;18.08,-22.95,;19.41,-22.17,;19.41,-20.63,;20.75,-22.94,;20.75,-24.48,;19.41,-25.25,;19.41,-26.79,;18.08,-24.48,;22.08,-22.17,;23.41,-22.95,;23.41,-24.49,;24.75,-22.18,;26.08,-22.95,;27.42,-22.17,;27.42,-20.63,;28.76,-22.94,;30.09,-22.17,;28.76,-24.48,;27.42,-25.25,;27.43,-26.79,;26.1,-27.57,;24.75,-20.64,;26.08,-19.87,;23.41,-19.87,;15.41,-22.95,;15.41,-24.49,;14.09,-22.18,;12.75,-22.95,;11.42,-22.18,;11.42,-20.64,;10.08,-22.95,;8.75,-22.18,;8.75,-20.64,;7.41,-22.95,;7.41,-24.49,;6.08,-22.18,;4.75,-22.95,;4.75,-24.49,;3.41,-22.18,;3.41,-20.64,;2.08,-22.95,;.75,-22.18,;.75,-20.64,;-.59,-19.88,;-1.81,-20.82,;-3.08,-19.94,;-2.65,-18.47,;-1.11,-18.43,;-.59,-22.95,;-.59,-24.49,;-1.93,-22.18,;-3.26,-22.95,;-3.26,-24.49,;-4.6,-25.26,;-5.93,-24.49,;-4.6,-26.8,;-4.6,-22.18,;-4.6,-20.64,;-5.93,-22.95,;-7.25,-22.2,;-7.25,-20.65,;-5.92,-19.89,;-8.59,-19.88,;-8.55,-18.37,;-9.85,-17.56,;-9.81,-16.03,;-7.19,-17.62,;-5.88,-18.43,;-7.16,-16.09,;-5.83,-15.32,;-5.83,-13.78,;-4.49,-16.09,;-4.49,-17.63,;-3.15,-15.32,;-3.17,-13.78,;-4.51,-13.02,;-4.52,-11.47,;-5.85,-10.72,;-7.16,-11.5,;-5.86,-9.17,;-1.82,-13,;-1.84,-11.46,;-.49,-13.77,;.84,-13,;.84,-11.46,;2.18,-10.69,;2.18,-9.15,;3.51,-11.46,;2.18,-13.77,;2.18,-15.31,;3.51,-13,;4.84,-13.77,;4.84,-15.31,;6.18,-16.08,;6.18,-17.62,;7.51,-15.31,;6.18,-13,;6.18,-11.46,;7.52,-13.77,;8.85,-13,;8.85,-11.46,;10.19,-10.69,;10.19,-9.15,;11.53,-8.4,;12.86,-9.16,;14.19,-8.39,;12.86,-10.7,;10.19,-13.77,;10.19,-15.31,;11.51,-12.99,;12.84,-13.76,;12.84,-15.3,;14.18,-16.07,;14.18,-17.61,;15.51,-18.38,;12.84,-18.38,;14.18,-12.99,;14.18,-11.45,;15.52,-13.76,;16.85,-12.99,;16.85,-11.45,;18.19,-10.68,;18.19,-9.14,;19.52,-11.45,;18.19,-13.76,;18.19,-15.3,;19.52,-12.99,;20.85,-13.76,;20.85,-15.3,;22.19,-16.07,;22.19,-17.61,;23.53,-18.38,;24.86,-17.61,;26.19,-18.38,;24.86,-16.07,;22.19,-12.99,;22.19,-11.45,;23.52,-13.76,;24.86,-13.01,;24.86,-11.46,;23.53,-10.69,;26.19,-10.69,;26.2,-9.16,;27.54,-8.4,;27.55,-6.85,;28.89,-6.09,;28.9,-4.55,;30.22,-6.88,;24.87,-8.37,;23.53,-9.13,;24.88,-6.83,;23.55,-6.06,;23.57,-4.54,;24.91,-3.77,;24.91,-2.23,;26.24,-4.54,;22.21,-6.83,;22.21,-8.37,;20.88,-6.06,;19.55,-6.83,;18.22,-6.06,;16.89,-6.84,;18.22,-4.52,;19.46,-3.61,;18.99,-2.15,;17.45,-2.15,;16.97,-3.61,;15.64,-4.39,;15.66,-5.93,;14.3,-3.64,;13.82,-2.18,;12.28,-2.18,;11.81,-3.64,;13.05,-4.56,;13.05,-6.1,;14.39,-6.87,;11.71,-6.87,;10.38,-6.1,;9.04,-6.87,;9.04,-8.41,;7.71,-6.1,;6.38,-6.87,;6.38,-8.41,;5.04,-9.18,;5.04,-6.1,;5.04,-4.57,;3.71,-6.87,;2.38,-6.1,;2.38,-4.57,;1.04,-3.8,;1.04,-2.26,;-.27,-1.49,;-1.61,-2.25,;-2.94,-1.48,;-1.61,-3.79,;1.04,-6.87,;-.29,-6.1,;1.04,-8.41,)|
Structure:
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