Target
Orexin receptor type 2
Ligand
BDBM50121812
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
2.3±n/a nM
Citation
 Asahi, SEgashira, SMatsuda, MIwaasa, HKanatani, AOhkubo, MIhara, MMorishima, 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:
BDBM50121812
Synonyms:
CHEMBL409676 | [Ala20]orexin-B
Type:
Small organic molecule
Emp. Form.:
C122H211N43O34S
Mol. Mass.:
2856.313
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](C)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:76.76,71.72,65.65,121.121,56.57,41.41,101.101,2.2,8.12,183.185,20.20,85.85,wD:129.129,153.153,189.191,46.45,112.112,36.36,144.144,4.4,16.16,26.27,93.93,168.170,175.178,(19.38,-15.85,;19.38,-17.39,;18.05,-18.16,;16.71,-17.39,;18.05,-19.7,;19.38,-20.47,;20.72,-19.7,;20.72,-18.16,;22.06,-20.47,;22.06,-22.01,;20.72,-22.78,;20.72,-24.32,;19.39,-22.01,;23.39,-19.7,;24.72,-20.47,;24.72,-22.01,;26.06,-19.7,;27.39,-20.47,;28.72,-19.7,;28.72,-18.16,;30.06,-20.47,;31.39,-19.7,;30.06,-22.01,;28.72,-22.78,;28.73,-24.32,;27.41,-25.1,;26.06,-18.16,;27.39,-17.39,;24.72,-17.39,;16.71,-20.47,;16.71,-22.01,;15.39,-19.71,;14.06,-20.48,;12.72,-19.71,;12.72,-18.17,;11.39,-20.48,;10.06,-19.71,;10.06,-18.17,;8.72,-20.48,;8.72,-22.02,;7.38,-19.71,;6.05,-20.48,;6.05,-22.02,;4.71,-19.71,;4.71,-18.17,;3.38,-20.48,;2.05,-19.71,;2.05,-18.17,;.71,-17.4,;-.51,-18.34,;-1.78,-17.47,;-1.34,-15.99,;.2,-15.95,;.71,-20.48,;.71,-22.02,;-.62,-19.71,;-1.95,-20.48,;-1.95,-22.02,;-3.29,-19.71,;-3.29,-18.17,;-4.62,-20.48,;-5.95,-19.73,;-5.95,-18.18,;-4.61,-17.41,;-7.28,-17.41,;-7.25,-15.9,;-8.54,-15.09,;-8.5,-13.55,;-5.89,-15.15,;-4.58,-15.96,;-5.85,-13.61,;-4.52,-12.84,;-4.52,-11.3,;-3.18,-13.61,;-3.18,-15.15,;-1.85,-12.84,;-1.86,-11.31,;-3.2,-10.55,;-3.21,-9,;-4.54,-8.24,;-5.86,-9.03,;-4.55,-6.7,;-.52,-10.53,;-.54,-8.99,;.82,-11.3,;2.15,-10.53,;2.15,-8.99,;3.49,-8.22,;3.49,-6.68,;4.82,-8.99,;3.49,-11.3,;3.49,-12.84,;4.82,-10.52,;6.15,-11.29,;6.15,-12.83,;7.49,-13.6,;7.49,-15.14,;8.82,-12.83,;7.49,-10.52,;7.49,-8.98,;8.82,-11.3,;10.15,-10.53,;10.15,-8.99,;11.49,-8.22,;11.49,-6.68,;12.83,-5.92,;14.17,-6.69,;15.5,-5.92,;14.17,-8.23,;11.49,-11.3,;11.49,-12.84,;12.82,-10.52,;14.15,-11.29,;14.15,-12.83,;15.49,-13.6,;15.49,-15.14,;16.82,-15.91,;14.15,-15.91,;15.49,-10.52,;15.49,-8.98,;16.82,-11.29,;18.15,-10.52,;18.15,-8.98,;19.49,-8.21,;19.49,-6.67,;20.82,-8.98,;19.49,-11.29,;19.49,-12.83,;20.82,-10.52,;22.15,-11.29,;22.15,-12.83,;23.49,-13.6,;23.49,-15.14,;24.83,-15.91,;26.16,-15.14,;27.5,-15.91,;26.17,-13.6,;23.49,-10.52,;23.49,-8.98,;24.83,-11.29,;26.16,-10.53,;26.17,-8.99,;24.83,-8.22,;27.49,-8.22,;27.5,-6.68,;28.84,-5.92,;28.85,-4.38,;30.19,-3.62,;30.21,-2.08,;31.52,-4.4,;26.17,-5.9,;24.83,-6.66,;26.19,-4.36,;24.86,-3.59,;24.87,-2.06,;26.21,-1.29,;26.21,.25,;27.54,-2.06,;23.52,-4.36,;23.52,-5.9,;22.18,-3.59,;20.85,-4.36,;19.53,-3.59,;18.2,-4.36,;19.52,-2.05,;20.77,-1.13,;20.29,.33,;18.75,.33,;18.28,-1.13,;16.95,-1.92,;16.96,-3.46,;15.6,-1.17,;15.13,.29,;13.59,.29,;13.11,-1.17,;14.36,-2.08,;14.36,-3.62,;15.69,-4.39,;13.02,-4.4,;11.69,-3.63,;10.35,-4.4,;10.35,-5.94,;9.01,-3.63,;7.68,-4.4,;7.68,-5.94,;6.34,-6.71,;6.34,-3.63,;6.34,-2.09,;5.02,-4.4,;3.69,-3.63,;3.69,-2.09,;2.35,-1.32,;2.35,.22,;1.03,.99,;-.31,.22,;-1.64,.99,;-.31,-1.32,;2.35,-4.4,;1.02,-3.63,;2.35,-5.94,)|
Structure:
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