Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121809
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.16±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:
BDBM50121809
Synonyms:
CHEMBL410899 | [D-Pro5]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:79.79,74.75,68.68,124.124,56.56,41.41,104.104,2.2,8.12,186.188,20.20,171.173,88.88,wD:132.132,156.156,192.194,115.115,46.45,36.36,147.147,4.4,96.96,16.16,26.27,178.181,(18.08,-21.19,;18.08,-22.73,;16.75,-23.5,;15.41,-22.73,;16.75,-25.04,;18.08,-25.81,;19.41,-25.04,;19.41,-23.5,;20.75,-25.81,;20.75,-27.35,;19.41,-28.12,;19.41,-29.66,;18.08,-27.35,;22.08,-25.04,;23.42,-25.81,;23.42,-27.35,;24.76,-25.04,;26.09,-25.81,;27.42,-25.04,;27.42,-23.5,;28.76,-25.81,;30.09,-25.04,;28.76,-27.35,;27.42,-28.12,;27.43,-29.66,;26.11,-30.44,;24.76,-23.5,;26.09,-22.73,;23.42,-22.73,;15.41,-25.81,;15.41,-27.35,;14.09,-25.05,;12.76,-25.82,;11.42,-25.05,;11.42,-23.51,;10.08,-25.82,;8.75,-25.05,;8.75,-23.51,;7.41,-25.82,;7.41,-27.36,;6.08,-25.05,;4.75,-25.82,;4.75,-27.36,;3.41,-25.05,;3.41,-23.51,;2.08,-25.82,;.75,-25.05,;.75,-23.51,;-.59,-22.74,;-1.82,-23.68,;-3.08,-22.8,;-2.65,-21.33,;-1.11,-21.29,;-.59,-25.82,;-.59,-27.36,;-1.93,-25.05,;-3.26,-25.82,;-3.26,-27.36,;-4.6,-28.13,;-5.93,-27.36,;-4.6,-29.67,;-4.6,-25.05,;-4.6,-23.51,;-5.93,-25.82,;-7.25,-25.06,;-7.25,-23.52,;-5.92,-22.75,;-8.59,-22.75,;-8.56,-21.23,;-9.85,-20.43,;-9.81,-18.89,;-7.19,-20.49,;-5.88,-21.29,;-7.16,-18.95,;-5.83,-18.18,;-5.83,-16.64,;-4.49,-18.95,;-4.49,-20.49,;-3.15,-18.18,;-3.17,-16.64,;-4.51,-15.88,;-4.52,-14.34,;-5.85,-13.58,;-7.16,-14.36,;-5.86,-12.03,;-1.82,-15.87,;-1.84,-14.33,;-.49,-16.63,;.84,-15.86,;.84,-14.32,;2.18,-13.55,;2.18,-12.01,;3.51,-14.32,;2.18,-16.63,;2.18,-18.17,;3.51,-15.86,;4.84,-16.63,;4.84,-18.17,;6.18,-18.94,;6.18,-20.48,;7.51,-18.17,;6.18,-15.86,;6.18,-14.32,;7.52,-16.63,;8.85,-15.86,;8.85,-14.32,;10.19,-13.55,;10.19,-12.01,;11.53,-11.26,;12.86,-12.03,;14.19,-11.26,;12.86,-13.57,;10.19,-16.63,;10.19,-18.17,;11.51,-15.85,;12.84,-16.62,;12.84,-18.16,;14.18,-18.93,;14.18,-20.47,;15.51,-21.24,;12.84,-21.24,;14.18,-15.85,;14.18,-14.31,;15.52,-16.62,;16.85,-15.85,;16.85,-14.31,;18.19,-13.54,;18.19,-12,;19.52,-14.31,;18.19,-16.62,;18.19,-18.16,;19.52,-15.85,;20.85,-16.62,;20.85,-18.16,;22.19,-18.93,;22.19,-20.47,;23.53,-21.24,;24.86,-20.47,;26.19,-21.24,;24.86,-18.94,;22.19,-15.85,;22.19,-14.31,;23.52,-16.62,;24.86,-15.87,;24.86,-14.32,;23.53,-13.55,;26.19,-13.56,;26.2,-12.02,;27.54,-11.26,;27.55,-9.71,;28.89,-8.95,;28.9,-7.42,;30.22,-9.74,;24.87,-11.23,;23.53,-11.99,;24.88,-9.69,;23.55,-8.92,;23.57,-7.4,;24.91,-6.63,;24.91,-5.09,;26.24,-7.4,;22.21,-9.69,;22.21,-11.23,;20.88,-8.92,;19.55,-9.69,;18.22,-8.92,;16.89,-9.7,;18.22,-7.38,;19.47,-6.47,;18.99,-5.01,;17.45,-5.01,;16.97,-6.47,;15.64,-7.26,;15.66,-8.8,;14.3,-6.51,;13.82,-5.05,;12.28,-5.05,;11.81,-6.51,;13.05,-7.42,;13.05,-8.96,;14.39,-9.73,;11.71,-9.74,;10.38,-8.97,;9.04,-9.74,;9.04,-11.28,;7.71,-8.97,;6.38,-9.74,;6.38,-11.28,;5.04,-12.05,;5.04,-8.97,;5.04,-7.43,;3.71,-9.74,;2.38,-8.97,;2.38,-7.43,;1.04,-6.66,;1.04,-5.12,;-.27,-4.35,;-1.61,-5.12,;-2.94,-4.35,;-1.61,-6.65,;1.04,-9.74,;-.29,-8.97,;1.04,-11.28,)|
Structure:
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