Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121773
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:
BDBM50121773
Synonyms:
CHEMBL386549 | [D-Asn20]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:79.79,74.75,68.68,124.124,41.41,104.104,2.2,8.12,186.188,20.20,88.88,wD:132.132,56.56,156.156,46.45,192.194,115.115,36.36,147.147,4.4,16.16,26.27,96.96,171.173,178.181,(17.54,-16.71,;17.54,-18.25,;16.21,-19.02,;14.87,-18.25,;16.21,-20.56,;17.54,-21.33,;18.87,-20.56,;18.87,-19.02,;20.21,-21.33,;20.21,-22.87,;18.87,-23.64,;18.87,-25.18,;17.54,-22.87,;21.54,-20.56,;22.87,-21.33,;22.87,-22.87,;24.21,-20.56,;25.54,-21.33,;26.88,-20.56,;26.88,-19.02,;28.22,-21.33,;29.55,-20.56,;28.22,-22.87,;26.88,-23.64,;26.89,-25.18,;25.56,-25.96,;24.21,-19.02,;25.54,-18.25,;22.87,-18.25,;14.87,-21.33,;14.87,-22.87,;13.54,-20.57,;12.21,-21.34,;10.87,-20.57,;10.87,-19.03,;9.54,-21.34,;8.21,-20.57,;8.21,-19.03,;6.87,-21.34,;6.87,-22.88,;5.54,-20.57,;4.21,-21.34,;4.21,-22.88,;2.87,-20.57,;2.87,-19.03,;1.53,-21.34,;.2,-20.57,;.2,-19.03,;-1.14,-18.26,;-2.36,-19.2,;-3.63,-18.33,;-3.19,-16.85,;-1.65,-16.81,;-1.14,-21.34,;-1.14,-22.88,;-2.47,-20.57,;-3.8,-21.34,;-3.8,-22.88,;-5.14,-23.65,;-6.47,-22.88,;-5.14,-25.19,;-5.14,-20.57,;-5.14,-19.03,;-6.47,-21.34,;-7.8,-20.59,;-7.8,-19.04,;-6.46,-18.27,;-9.13,-18.27,;-9.1,-16.76,;-10.39,-15.95,;-10.35,-14.41,;-7.74,-16.01,;-6.43,-16.82,;-7.7,-14.48,;-6.37,-13.71,;-6.37,-12.17,;-5.03,-14.48,;-5.03,-16.02,;-3.7,-13.7,;-3.71,-12.17,;-5.05,-11.41,;-5.06,-9.86,;-6.39,-9.1,;-7.71,-9.89,;-6.4,-7.56,;-2.37,-11.39,;-2.39,-9.85,;-1.03,-12.16,;.3,-11.39,;.3,-9.85,;1.64,-9.08,;1.64,-7.54,;2.97,-9.85,;1.64,-12.16,;1.64,-13.7,;2.97,-11.39,;4.3,-12.16,;4.3,-13.7,;5.64,-14.47,;5.64,-16,;6.97,-13.7,;5.64,-11.39,;5.64,-9.85,;6.97,-12.16,;8.3,-11.39,;8.3,-9.85,;9.64,-9.08,;9.64,-7.54,;10.98,-6.78,;12.32,-7.55,;13.65,-6.78,;12.32,-9.09,;9.64,-12.16,;9.64,-13.7,;10.97,-11.38,;12.3,-12.15,;12.3,-13.69,;13.64,-14.46,;13.64,-16,;14.97,-16.77,;12.3,-16.77,;13.64,-11.38,;13.64,-9.84,;14.97,-12.15,;16.3,-11.38,;16.3,-9.84,;17.64,-9.07,;17.64,-7.53,;18.97,-9.84,;17.64,-12.15,;17.64,-13.69,;18.98,-11.38,;20.31,-12.15,;20.31,-13.69,;21.65,-14.46,;21.65,-16,;22.98,-16.77,;24.32,-16,;25.65,-16.77,;24.32,-14.46,;21.65,-11.38,;21.65,-9.84,;22.98,-12.15,;24.32,-11.39,;24.32,-9.85,;22.98,-9.08,;25.64,-9.08,;25.66,-7.54,;27,-6.78,;27.01,-5.24,;28.35,-4.48,;28.36,-2.94,;29.68,-5.27,;24.33,-6.76,;22.99,-7.52,;24.34,-5.22,;23.01,-4.45,;23.02,-2.92,;24.36,-2.16,;24.36,-.62,;25.69,-2.92,;21.67,-5.22,;21.67,-6.76,;20.34,-4.45,;19.01,-5.22,;17.68,-4.45,;16.35,-5.22,;17.68,-2.91,;18.92,-1.99,;18.45,-.53,;16.91,-.53,;16.43,-1.99,;15.1,-2.78,;15.12,-4.32,;13.76,-2.03,;13.28,-.57,;11.74,-.57,;11.26,-2.03,;12.51,-2.94,;12.51,-4.48,;13.84,-5.25,;11.17,-5.26,;9.84,-4.49,;8.5,-5.26,;8.5,-6.8,;7.17,-4.49,;5.83,-5.26,;5.83,-6.8,;4.5,-7.57,;4.5,-4.49,;4.5,-2.95,;3.17,-5.26,;1.84,-4.49,;1.84,-2.95,;.5,-2.18,;.5,-.64,;-.82,.13,;-2.15,-.64,;-3.49,.13,;-2.16,-2.18,;.5,-5.26,;-.83,-4.49,;.5,-6.8,)|
Structure:
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