Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121807
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
>200±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:
BDBM50121807
Synonyms:
CHEMBL441394 | [D-Leu26]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:79.79,74.75,68.68,124.124,56.56,41.41,104.104,2.2,186.188,20.20,88.88,wD:132.132,156.156,192.194,115.115,46.45,36.36,147.147,4.4,8.12,16.16,26.27,96.96,171.173,178.181,(18.41,-16.23,;18.41,-17.77,;17.08,-18.54,;15.74,-17.77,;17.08,-20.08,;18.41,-20.85,;19.75,-20.08,;19.75,-18.54,;21.09,-20.85,;21.09,-22.39,;19.75,-23.16,;19.75,-24.7,;18.42,-22.39,;22.42,-20.08,;23.75,-20.85,;23.75,-22.39,;25.09,-20.08,;26.42,-20.85,;27.75,-20.08,;27.75,-18.54,;29.09,-20.85,;30.43,-20.08,;29.09,-22.39,;27.75,-23.16,;27.76,-24.7,;26.44,-25.48,;25.09,-18.54,;26.42,-17.77,;23.75,-17.77,;15.74,-20.85,;15.74,-22.39,;14.42,-20.09,;13.09,-20.86,;11.75,-20.09,;11.75,-18.55,;10.42,-20.86,;9.09,-20.09,;9.09,-18.55,;7.75,-20.86,;7.75,-22.4,;6.41,-20.09,;5.08,-20.86,;5.08,-22.4,;3.74,-20.09,;3.74,-18.55,;2.41,-20.86,;1.08,-20.09,;1.08,-18.55,;-.26,-17.78,;-1.48,-18.72,;-2.75,-17.85,;-2.31,-16.37,;-.77,-16.33,;-.26,-20.86,;-.26,-22.4,;-1.59,-20.09,;-2.92,-20.86,;-2.92,-22.4,;-4.26,-23.17,;-5.59,-22.4,;-4.26,-24.71,;-4.26,-20.09,;-4.26,-18.55,;-5.59,-20.86,;-6.92,-20.11,;-6.92,-18.56,;-5.58,-17.79,;-8.25,-17.79,;-8.22,-16.28,;-9.51,-15.47,;-9.47,-13.93,;-6.86,-15.53,;-5.55,-16.34,;-6.82,-13.99,;-5.49,-13.22,;-5.49,-11.68,;-4.15,-13.99,;-4.15,-15.53,;-2.82,-13.22,;-2.83,-11.69,;-4.17,-10.93,;-4.18,-9.38,;-5.51,-8.62,;-6.83,-9.41,;-5.52,-7.08,;-1.49,-10.91,;-1.51,-9.37,;-.15,-11.68,;1.18,-10.91,;1.18,-9.37,;2.52,-8.6,;2.52,-7.06,;3.85,-9.37,;2.52,-11.68,;2.52,-13.22,;3.85,-10.9,;5.18,-11.67,;5.18,-13.21,;6.52,-13.98,;6.52,-15.52,;7.85,-13.21,;6.52,-10.9,;6.52,-9.36,;7.85,-11.68,;9.18,-10.91,;9.18,-9.37,;10.52,-8.6,;10.52,-7.06,;11.86,-6.3,;13.2,-7.07,;14.53,-6.3,;13.2,-8.61,;10.52,-11.68,;10.52,-13.22,;11.85,-10.9,;13.18,-11.67,;13.18,-13.21,;14.52,-13.98,;14.52,-15.52,;15.85,-16.29,;13.18,-16.29,;14.52,-10.9,;14.52,-9.36,;15.85,-11.67,;17.18,-10.9,;17.18,-9.36,;18.52,-8.59,;18.52,-7.05,;19.85,-9.36,;18.52,-11.67,;18.52,-13.21,;19.85,-10.9,;21.18,-11.67,;21.18,-13.21,;22.52,-13.98,;22.52,-15.52,;23.86,-16.29,;25.19,-15.52,;26.53,-16.29,;25.2,-13.98,;22.52,-10.9,;22.52,-9.36,;23.86,-11.67,;25.19,-10.91,;25.2,-9.37,;23.86,-8.6,;26.52,-8.6,;26.54,-7.06,;27.87,-6.3,;27.88,-4.76,;29.22,-4,;29.24,-2.46,;30.55,-4.79,;25.2,-6.28,;23.87,-7.04,;25.22,-4.74,;23.89,-3.97,;23.9,-2.44,;25.24,-1.67,;25.24,-.13,;26.57,-2.44,;22.55,-4.74,;22.55,-6.28,;21.22,-3.97,;19.89,-4.74,;18.56,-3.97,;17.23,-4.74,;18.55,-2.43,;19.8,-1.51,;19.32,-.05,;17.78,-.05,;17.31,-1.51,;15.98,-2.3,;15.99,-3.84,;14.63,-1.55,;14.16,-.09,;12.62,-.09,;12.14,-1.55,;13.39,-2.46,;13.39,-4,;14.72,-4.77,;12.05,-4.78,;10.72,-4.01,;9.38,-4.78,;9.38,-6.32,;8.04,-4.01,;6.71,-4.78,;6.71,-6.32,;5.37,-7.09,;5.37,-4.01,;5.37,-2.47,;4.05,-4.78,;2.72,-4.01,;2.72,-2.47,;1.38,-1.7,;1.38,-.16,;.06,.61,;-1.27,-.16,;-2.61,.61,;-1.28,-1.7,;1.38,-4.78,;.05,-4.01,;1.38,-6.32,)|
Structure:
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