Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121760
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.41±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:
BDBM50121760
Synonyms:
CHEMBL413285 | [D-Gln16]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:74.75,68.68,124.124,56.56,41.41,2.2,104.104,8.12,186.188,20.20,88.88,wD:79.79,132.132,156.156,46.45,192.194,115.115,36.36,147.147,4.4,16.16,26.27,96.96,171.173,178.181,(17.86,-16.69,;17.86,-18.23,;16.53,-19,;15.19,-18.23,;16.53,-20.54,;17.86,-21.31,;19.2,-20.54,;19.2,-19,;20.54,-21.31,;20.54,-22.85,;19.2,-23.62,;19.2,-25.16,;17.87,-22.85,;21.87,-20.54,;23.2,-21.31,;23.2,-22.85,;24.54,-20.54,;25.87,-21.31,;27.2,-20.54,;27.2,-19,;28.54,-21.31,;29.87,-20.54,;28.54,-22.85,;27.2,-23.62,;27.21,-25.16,;25.89,-25.93,;24.54,-19,;25.87,-18.23,;23.2,-18.23,;15.19,-21.31,;15.19,-22.85,;13.87,-20.54,;12.54,-21.31,;11.2,-20.54,;11.2,-19,;9.87,-21.32,;8.53,-20.55,;8.53,-19.01,;7.2,-21.32,;7.2,-22.86,;5.86,-20.54,;4.53,-21.31,;4.53,-22.85,;3.19,-20.54,;3.19,-19,;1.86,-21.32,;.53,-20.55,;.53,-19.01,;-.81,-18.24,;-2.03,-19.18,;-3.3,-18.3,;-2.86,-16.83,;-1.33,-16.79,;-.81,-21.32,;-.81,-22.86,;-2.14,-20.54,;-3.47,-21.31,;-3.47,-22.85,;-4.81,-23.62,;-6.14,-22.85,;-4.81,-25.16,;-4.81,-20.54,;-4.81,-19,;-6.15,-21.32,;-7.47,-20.56,;-7.47,-19.02,;-6.14,-18.25,;-8.8,-18.24,;-8.77,-16.73,;-10.06,-15.92,;-10.02,-14.39,;-7.41,-15.99,;-6.1,-16.79,;-7.37,-14.45,;-6.04,-13.68,;-6.04,-12.14,;-4.7,-14.45,;-4.7,-15.99,;-3.37,-13.68,;-3.38,-12.14,;-4.72,-11.38,;-4.73,-9.84,;-6.07,-9.08,;-7.38,-9.86,;-6.07,-7.53,;-2.04,-11.36,;-2.06,-9.82,;-.71,-12.13,;.62,-11.36,;.62,-9.82,;1.96,-9.05,;1.96,-7.51,;3.29,-9.82,;1.96,-12.13,;1.96,-13.67,;3.3,-11.36,;4.63,-12.13,;4.63,-13.67,;5.97,-14.44,;5.97,-15.98,;7.3,-13.67,;5.97,-11.36,;5.97,-9.82,;7.3,-12.13,;8.63,-11.36,;8.63,-9.82,;9.97,-9.05,;9.97,-7.51,;11.31,-6.76,;12.64,-7.53,;13.98,-6.76,;12.65,-9.06,;9.97,-12.13,;9.97,-13.67,;11.3,-11.35,;12.63,-12.12,;12.63,-13.66,;13.97,-14.43,;13.97,-15.97,;15.3,-16.74,;12.63,-16.74,;13.97,-11.35,;13.97,-9.81,;15.3,-12.12,;16.63,-11.35,;16.63,-9.81,;17.97,-9.04,;17.97,-7.5,;19.3,-9.81,;17.97,-12.12,;17.97,-13.66,;19.3,-11.35,;20.63,-12.12,;20.63,-13.66,;21.97,-14.43,;21.97,-15.97,;23.31,-16.74,;24.64,-15.97,;25.98,-16.74,;24.65,-14.43,;21.97,-11.35,;21.97,-9.81,;23.3,-12.12,;24.64,-11.37,;24.65,-9.82,;23.31,-9.05,;25.97,-9.05,;25.98,-7.52,;27.32,-6.76,;27.33,-5.21,;28.67,-4.45,;28.69,-2.92,;30,-5.24,;24.65,-6.73,;23.31,-7.49,;24.67,-5.19,;23.34,-4.42,;23.35,-2.9,;24.69,-2.13,;24.69,-.59,;26.02,-2.9,;22,-5.19,;22,-6.73,;20.66,-4.42,;19.33,-5.19,;18,-4.42,;16.67,-5.2,;18,-2.88,;19.25,-1.97,;18.77,-.51,;17.23,-.51,;16.76,-1.97,;15.43,-2.75,;15.44,-4.29,;14.08,-2,;13.61,-.54,;12.07,-.54,;11.59,-2,;12.84,-2.92,;12.84,-4.46,;14.17,-5.23,;11.5,-5.24,;10.16,-4.47,;8.83,-5.24,;8.83,-6.78,;7.49,-4.47,;6.16,-5.24,;6.16,-6.78,;4.82,-7.55,;4.82,-4.47,;4.82,-2.93,;3.5,-5.24,;2.17,-4.47,;2.17,-2.93,;.83,-2.16,;.83,-.62,;-.49,.15,;-1.83,-.61,;-3.16,.16,;-1.83,-2.15,;.83,-5.24,;-.51,-4.46,;.83,-6.78,)|
Structure:
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