Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121802
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
2.6±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:
BDBM50121802
Synonyms:
CHEMBL439288 | [D-Ala22]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:79.79,74.75,68.68,124.124,56.56,104.104,2.2,8.12,186.188,20.20,88.88,wD:132.132,156.156,192.194,115.115,46.45,36.36,147.147,4.4,96.96,16.16,26.27,171.173,178.181,41.41,(18.9,-17.32,;18.9,-18.86,;17.57,-19.63,;16.23,-18.86,;17.57,-21.17,;18.9,-21.94,;20.24,-21.17,;20.24,-19.63,;21.58,-21.94,;21.58,-23.48,;20.24,-24.25,;20.24,-25.79,;18.91,-23.48,;22.91,-21.17,;24.24,-21.94,;24.24,-23.48,;25.58,-21.17,;26.91,-21.94,;28.24,-21.17,;28.24,-19.63,;29.58,-21.94,;30.91,-21.17,;29.58,-23.48,;28.24,-24.25,;28.25,-25.79,;26.93,-26.57,;25.58,-19.63,;26.91,-18.86,;24.24,-18.86,;16.23,-21.94,;16.23,-23.48,;14.91,-21.18,;13.58,-21.95,;12.24,-21.18,;12.24,-19.64,;10.91,-21.95,;9.58,-21.18,;9.58,-19.64,;8.24,-21.95,;8.24,-23.49,;6.9,-21.18,;5.57,-21.95,;5.58,-23.49,;4.23,-21.18,;4.23,-19.64,;2.9,-21.95,;1.57,-21.18,;1.57,-19.64,;.23,-18.87,;-.99,-19.81,;-2.26,-18.93,;-1.82,-17.46,;-.28,-17.42,;.23,-21.95,;.23,-23.49,;-1.1,-21.18,;-2.43,-21.95,;-2.43,-23.49,;-3.77,-24.26,;-5.1,-23.49,;-3.77,-25.8,;-3.77,-21.18,;-3.77,-19.64,;-5.1,-21.95,;-6.43,-21.19,;-6.43,-19.65,;-5.1,-18.88,;-7.76,-18.88,;-7.73,-17.36,;-9.02,-16.56,;-8.98,-15.02,;-6.37,-16.62,;-5.06,-17.43,;-6.33,-15.08,;-5,-14.31,;-5,-12.77,;-3.66,-15.08,;-3.66,-16.62,;-2.33,-14.31,;-2.34,-12.77,;-3.68,-12.01,;-3.69,-10.47,;-5.02,-9.71,;-6.34,-10.49,;-5.03,-8.17,;-1,-12,;-1.02,-10.46,;.34,-12.76,;1.67,-11.99,;1.67,-10.45,;3.01,-9.68,;3.01,-8.14,;4.34,-10.45,;3.01,-12.76,;3.01,-14.3,;4.34,-11.99,;5.67,-12.76,;5.67,-14.3,;7.01,-15.07,;7.01,-16.61,;8.34,-14.3,;7.01,-11.99,;7.01,-10.45,;8.34,-12.76,;9.67,-11.99,;9.67,-10.45,;11.01,-9.68,;11.01,-8.14,;12.35,-7.39,;13.69,-8.16,;15.02,-7.39,;13.69,-9.7,;11.01,-12.76,;11.01,-14.3,;12.34,-11.98,;13.67,-12.75,;13.67,-14.29,;15.01,-15.06,;15.01,-16.6,;16.34,-17.37,;13.67,-17.37,;15.01,-11.98,;15.01,-10.44,;16.34,-12.75,;17.67,-11.98,;17.67,-10.45,;19.01,-9.68,;19.01,-8.14,;20.34,-10.45,;19.01,-12.75,;19.01,-14.29,;20.34,-11.98,;21.67,-12.75,;21.67,-14.29,;23.01,-15.06,;23.01,-16.6,;24.35,-17.37,;25.68,-16.6,;27.02,-17.37,;25.69,-15.07,;23.01,-11.98,;23.01,-10.44,;24.35,-12.75,;25.68,-12,;25.69,-10.45,;24.35,-9.69,;27.01,-9.69,;27.02,-8.15,;28.36,-7.39,;28.37,-5.85,;29.71,-5.09,;29.73,-3.55,;31.04,-5.87,;25.69,-7.36,;24.35,-8.12,;25.71,-5.83,;24.38,-5.06,;24.39,-3.53,;25.73,-2.76,;25.73,-1.22,;27.06,-3.53,;23.04,-5.83,;23.04,-7.36,;21.7,-5.05,;20.37,-5.82,;19.05,-5.05,;17.72,-5.83,;19.04,-3.51,;20.29,-2.6,;19.81,-1.14,;18.27,-1.14,;17.8,-2.6,;16.47,-3.39,;16.48,-4.93,;15.12,-2.64,;14.65,-1.18,;13.11,-1.18,;12.63,-2.64,;13.88,-3.55,;13.88,-5.09,;15.21,-5.86,;12.54,-5.87,;11.21,-5.1,;9.87,-5.87,;9.87,-7.41,;8.53,-5.1,;7.2,-5.87,;7.2,-7.41,;5.86,-8.18,;5.86,-5.1,;5.86,-3.56,;4.54,-5.87,;3.21,-5.1,;3.21,-3.56,;1.87,-2.79,;1.87,-1.25,;.55,-.48,;-.79,-1.25,;-2.12,-.48,;-.79,-2.79,;1.87,-5.87,;.54,-5.1,;1.87,-7.41,)|
Structure:
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