Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121767
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.26±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:
BDBM50121767
Synonyms:
CHEMBL409970 | [D-Ala17]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:79.79,68.68,124.124,56.56,41.41,104.104,2.2,8.12,186.188,20.20,88.88,wD:132.132,156.156,192.194,115.115,46.45,36.36,147.147,4.4,96.96,16.16,26.27,171.173,178.181,74.75,(17.14,-15.55,;17.14,-17.09,;15.81,-17.86,;14.47,-17.09,;15.81,-19.4,;17.14,-20.17,;18.47,-19.4,;18.47,-17.86,;19.81,-20.17,;19.81,-21.71,;18.47,-22.48,;18.47,-24.02,;17.14,-21.71,;21.14,-19.4,;22.47,-20.17,;22.47,-21.71,;23.81,-19.4,;25.14,-20.17,;26.48,-19.4,;26.48,-17.86,;27.82,-20.17,;29.15,-19.4,;27.82,-21.71,;26.48,-22.48,;26.49,-24.02,;25.16,-24.8,;23.81,-17.86,;25.14,-17.09,;22.47,-17.09,;14.47,-20.17,;14.47,-21.71,;13.14,-19.41,;11.81,-20.18,;10.47,-19.41,;10.47,-17.87,;9.14,-20.18,;7.81,-19.41,;7.81,-17.87,;6.47,-20.18,;6.47,-21.72,;5.14,-19.41,;3.81,-20.18,;3.81,-21.72,;2.47,-19.41,;2.47,-17.87,;1.13,-20.18,;-.2,-19.41,;-.2,-17.87,;-1.54,-17.1,;-2.76,-18.04,;-4.03,-17.17,;-3.59,-15.69,;-2.05,-15.65,;-1.54,-20.18,;-1.54,-21.72,;-2.87,-19.41,;-4.2,-20.18,;-4.2,-21.72,;-5.54,-22.49,;-6.87,-21.72,;-5.54,-24.03,;-5.54,-19.41,;-5.54,-17.87,;-6.87,-20.18,;-8.19,-19.43,;-8.2,-17.88,;-6.86,-17.11,;-9.53,-17.11,;-9.5,-15.6,;-10.79,-14.79,;-10.75,-13.25,;-8.14,-14.85,;-6.83,-15.66,;-8.1,-13.32,;-6.77,-12.55,;-6.77,-11.01,;-5.43,-13.32,;-5.43,-14.85,;-4.1,-12.54,;-4.11,-11.01,;-5.45,-10.25,;-5.46,-8.7,;-6.79,-7.94,;-8.1,-8.73,;-6.8,-6.4,;-2.77,-10.23,;-2.79,-8.69,;-1.43,-11,;-.1,-10.23,;-.1,-8.69,;1.24,-7.92,;1.24,-6.38,;2.57,-8.69,;1.24,-11,;1.24,-12.54,;2.57,-10.23,;3.9,-11,;3.9,-12.54,;5.24,-13.3,;5.24,-14.84,;6.57,-12.54,;5.24,-10.23,;5.24,-8.69,;6.57,-11,;7.9,-10.23,;7.9,-8.69,;9.24,-7.92,;9.24,-6.38,;10.58,-5.63,;11.92,-6.39,;13.25,-5.62,;11.92,-7.93,;9.24,-11,;9.24,-12.54,;10.57,-10.22,;11.9,-10.99,;11.9,-12.53,;13.24,-13.3,;13.24,-14.84,;14.57,-15.61,;11.9,-15.61,;13.24,-10.22,;13.24,-8.68,;14.57,-10.99,;15.9,-10.22,;15.9,-8.68,;17.24,-7.91,;17.24,-6.37,;18.57,-8.68,;17.24,-10.99,;17.24,-12.53,;18.58,-10.22,;19.91,-10.99,;19.91,-12.53,;21.25,-13.3,;21.25,-14.84,;22.58,-15.61,;23.92,-14.84,;25.25,-15.61,;23.92,-13.3,;21.25,-10.22,;21.25,-8.68,;22.58,-10.99,;23.92,-10.23,;23.92,-8.69,;22.58,-7.92,;25.24,-7.92,;25.26,-6.38,;26.6,-5.62,;26.61,-4.08,;27.95,-3.32,;27.96,-1.78,;29.28,-4.11,;23.93,-5.6,;22.59,-6.36,;23.94,-4.06,;22.61,-3.29,;22.62,-1.77,;23.96,-1,;23.96,.54,;25.3,-1.77,;21.27,-4.06,;21.27,-5.6,;19.94,-3.29,;18.61,-4.06,;17.28,-3.29,;15.95,-4.06,;17.28,-1.75,;18.52,-.84,;18.05,.62,;16.51,.62,;16.03,-.84,;14.7,-1.62,;14.72,-3.16,;13.36,-.87,;12.88,.59,;11.34,.59,;10.86,-.87,;12.11,-1.78,;12.11,-3.32,;13.44,-4.09,;10.77,-4.1,;9.44,-3.33,;8.1,-4.1,;8.1,-5.64,;6.77,-3.33,;5.44,-4.1,;5.44,-5.64,;4.1,-6.41,;4.1,-3.33,;4.1,-1.79,;2.77,-4.1,;1.44,-3.33,;1.44,-1.79,;.1,-1.02,;.1,.52,;-1.22,1.29,;-2.55,.52,;-3.88,1.29,;-2.55,-1.02,;.1,-4.1,;-1.23,-3.33,;.1,-5.64,)|
Structure:
Search PDB for entries with ligand similarity: