Target
Orexin receptor type 2
Ligand
BDBM50121771
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
1.2±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:
BDBM50121771
Synonyms:
CHEMBL436926 | [Ser11]orexin-B
Type:
Small organic molecule
Emp. Form.:
C120H206N44O36S
Mol. Mass.:
2873.258
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](CO)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:79.79,74.75,68.68,124.124,56.56,41.41,104.104,2.2,8.12,184.186,20.20,88.88,wD:130.130,154.154,115.115,46.45,190.192,36.36,145.145,4.4,96.96,16.16,26.27,169.171,176.179,(17.67,-17.38,;17.67,-18.92,;16.35,-19.69,;15.01,-18.92,;16.35,-21.23,;17.67,-22,;19.01,-21.23,;19.01,-19.69,;20.35,-21.99,;20.35,-23.54,;19.01,-24.31,;19.01,-25.85,;17.67,-23.54,;21.68,-21.23,;23.01,-22,;23.01,-23.54,;24.35,-21.23,;25.68,-22,;27.01,-21.23,;27.01,-19.69,;28.35,-21.99,;29.68,-21.23,;28.35,-23.54,;27.01,-24.31,;27.02,-25.85,;25.7,-26.63,;24.35,-19.69,;25.68,-18.92,;23.01,-18.92,;15.01,-22,;15.01,-23.54,;13.68,-21.24,;12.35,-22.01,;11.01,-21.24,;11.01,-19.7,;9.68,-22.01,;8.35,-21.24,;8.35,-19.7,;7.01,-22.01,;7.01,-23.55,;5.68,-21.24,;4.35,-22.01,;4.35,-23.55,;3.01,-21.24,;3.01,-19.7,;1.68,-22.01,;.35,-21.24,;.35,-19.7,;-.99,-18.93,;-2.22,-19.87,;-3.48,-19,;-3.04,-17.53,;-1.51,-17.49,;-.99,-22.01,;-.99,-23.55,;-2.33,-21.24,;-3.66,-22.01,;-3.66,-23.55,;-4.99,-24.32,;-6.32,-23.55,;-4.99,-25.86,;-4.99,-21.24,;-4.99,-19.7,;-6.32,-22.01,;-7.65,-21.25,;-7.65,-19.71,;-6.32,-18.94,;-8.98,-18.93,;-8.95,-17.43,;-10.25,-16.62,;-10.21,-15.08,;-7.59,-16.68,;-6.28,-17.49,;-7.55,-15.14,;-6.22,-14.38,;-6.22,-12.84,;-4.88,-15.14,;-4.88,-16.68,;-3.55,-14.38,;-3.56,-12.84,;-4.9,-12.08,;-4.91,-10.53,;-6.24,-9.78,;-7.56,-10.56,;-6.25,-8.22,;-2.23,-12.06,;-2.25,-10.52,;-.89,-12.83,;.44,-12.05,;.44,-10.52,;1.78,-9.74,;1.78,-8.2,;3.11,-10.52,;1.78,-12.83,;1.78,-14.37,;3.11,-12.05,;4.45,-12.82,;4.45,-14.37,;5.79,-15.13,;5.79,-16.67,;7.11,-14.37,;5.79,-12.05,;5.79,-10.51,;7.11,-12.83,;8.44,-12.05,;8.44,-10.52,;9.78,-9.74,;9.78,-8.2,;11.12,-7.45,;12.46,-8.22,;13.79,-7.45,;12.46,-9.76,;9.78,-12.83,;9.78,-14.37,;11.11,-12.05,;12.44,-12.81,;12.44,-14.36,;13.78,-15.12,;13.78,-16.66,;15.11,-17.44,;12.44,-17.44,;13.78,-12.05,;13.78,-10.51,;15.11,-12.81,;16.45,-12.05,;16.45,-10.51,;17.77,-9.73,;17.78,-12.81,;17.78,-14.36,;19.11,-12.05,;20.44,-12.81,;20.44,-14.36,;21.78,-15.12,;21.78,-16.66,;23.12,-17.44,;24.46,-16.67,;25.79,-17.44,;24.46,-15.13,;21.78,-12.05,;21.78,-10.51,;23.12,-12.81,;24.46,-12.06,;24.46,-10.52,;23.12,-9.74,;25.78,-9.75,;25.8,-8.21,;27.14,-7.45,;27.15,-5.91,;28.48,-5.15,;28.49,-3.61,;29.81,-5.94,;24.47,-7.43,;23.13,-8.18,;24.48,-5.89,;23.15,-5.11,;23.16,-3.59,;24.5,-2.83,;24.5,-1.29,;25.83,-3.59,;21.81,-5.89,;21.81,-7.43,;20.47,-5.11,;19.14,-5.89,;17.81,-5.11,;16.49,-5.89,;17.81,-3.57,;19.06,-2.67,;18.58,-1.21,;17.04,-1.21,;16.57,-2.67,;15.24,-3.45,;15.26,-4.99,;13.9,-2.7,;13.42,-1.24,;11.88,-1.24,;11.4,-2.7,;12.65,-3.61,;12.65,-5.15,;13.98,-5.92,;11.31,-5.93,;9.98,-5.16,;8.64,-5.93,;8.64,-7.47,;7.31,-5.16,;5.98,-5.93,;5.98,-7.47,;4.64,-8.25,;4.64,-5.16,;4.64,-3.62,;3.31,-5.93,;1.98,-5.16,;1.98,-3.62,;.64,-2.85,;.64,-1.31,;-.68,-.54,;-2,-1.31,;-3.34,-.54,;-2.01,-2.85,;.64,-5.93,;-.69,-5.16,;.64,-7.47,)|
Structure:
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