Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOrexin receptor type 2
LigandBDBM50121814
Substrate/Competitorn/a
Meas. Tech.ChEMBL_323054 (CHEMBL857325)
EC50>390±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 Lett13:111-3 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Orexin receptor type 2
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:
MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAG
YIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETW
FFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVS
CIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMV
LAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARR
KTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAAN
PIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKL
SEQVVLTSISTLPAANGAGPLQNW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50121814
n/a
NameBDBM50121814
Synonyms:CHEMBL265422 | [Ala25]orexin-B
TypeSmall organic molecule
Emp. Form.C120H206N44O35S
Mol. Mass.2857.258
SMILESCSCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)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:85.85,76.76,71.72,65.65,121.121,53.53,38.38,101.101,16.15,183.185,4.4,24.24,wD:129.129,153.153,189.191,112.112,43.42,33.33,144.144,9.8,10.11,93.93,168.170,175.178,(25.86,-28.07,;27.18,-27.29,;27.17,-25.75,;28.52,-24.98,;28.52,-23.44,;29.85,-22.67,;27.17,-22.67,;27.17,-21.13,;25.84,-23.44,;24.51,-22.67,;24.51,-21.13,;25.84,-20.36,;23.17,-20.36,;23.17,-23.44,;23.17,-24.98,;21.84,-22.67,;20.51,-23.44,;20.51,-24.98,;19.17,-25.75,;19.17,-27.29,;17.84,-24.98,;19.17,-22.67,;19.17,-21.13,;17.84,-23.44,;16.5,-22.67,;16.51,-21.13,;15.17,-23.44,;15.17,-24.98,;13.84,-22.68,;12.51,-23.45,;11.17,-22.68,;11.17,-21.14,;9.84,-23.45,;8.51,-22.68,;8.51,-21.14,;7.17,-23.45,;7.17,-24.99,;5.84,-22.68,;4.5,-23.45,;4.5,-24.99,;3.17,-22.68,;3.17,-21.14,;1.83,-23.45,;.5,-22.68,;.5,-21.14,;-.84,-20.38,;-2.06,-21.31,;-3.33,-20.44,;-2.89,-18.96,;-1.35,-18.92,;-.84,-23.45,;-.84,-24.99,;-2.17,-22.68,;-3.5,-23.45,;-3.5,-24.99,;-4.84,-25.76,;-6.17,-24.99,;-4.84,-27.3,;-4.84,-22.68,;-4.84,-21.14,;-6.17,-23.45,;-7.5,-22.7,;-7.5,-21.15,;-6.16,-20.38,;-8.83,-20.38,;-8.8,-18.87,;-10.09,-18.06,;-10.05,-16.53,;-7.44,-18.12,;-6.13,-18.93,;-7.4,-16.59,;-6.07,-15.82,;-6.07,-14.28,;-4.73,-16.59,;-4.73,-18.13,;-3.4,-15.81,;-3.41,-14.28,;-4.75,-13.52,;-4.76,-11.97,;-6.09,-11.22,;-7.41,-12,;-6.1,-9.67,;-2.07,-13.5,;-2.09,-11.96,;-.73,-14.27,;.6,-13.5,;.6,-11.96,;1.94,-11.19,;1.94,-9.65,;3.27,-11.96,;1.94,-14.27,;1.94,-15.81,;3.27,-13.5,;4.6,-14.27,;4.6,-15.81,;5.94,-16.58,;5.94,-18.12,;7.27,-15.81,;5.94,-13.5,;5.94,-11.96,;7.27,-14.27,;8.6,-13.5,;8.6,-11.96,;9.94,-11.19,;9.94,-9.65,;11.28,-8.9,;12.62,-9.66,;13.95,-8.89,;12.62,-11.2,;9.94,-14.27,;9.94,-15.81,;11.27,-13.49,;12.6,-14.26,;12.6,-15.8,;13.94,-16.57,;13.94,-18.11,;15.27,-18.88,;12.6,-18.88,;13.94,-13.49,;13.94,-11.95,;15.27,-14.26,;16.6,-13.49,;16.6,-11.95,;17.94,-11.18,;17.94,-9.64,;19.27,-11.95,;17.94,-14.26,;17.94,-15.8,;19.27,-13.49,;20.61,-14.26,;20.61,-15.8,;21.94,-16.57,;21.94,-18.11,;23.28,-18.88,;24.62,-18.11,;25.95,-18.88,;24.62,-16.57,;21.94,-13.49,;21.94,-11.95,;23.28,-14.26,;24.62,-13.5,;24.62,-11.96,;23.28,-11.19,;25.94,-11.19,;25.96,-9.65,;27.3,-8.9,;27.31,-7.35,;28.65,-6.59,;28.66,-5.05,;29.98,-7.38,;24.63,-8.87,;23.29,-9.63,;24.64,-7.33,;23.31,-6.56,;23.32,-5.04,;24.66,-4.27,;24.66,-2.73,;25.99,-5.04,;21.97,-7.33,;21.97,-8.87,;20.64,-6.56,;19.31,-7.33,;17.98,-6.56,;16.65,-7.33,;17.97,-5.02,;19.22,-4.11,;18.74,-2.65,;17.2,-2.65,;16.73,-4.11,;15.4,-4.89,;15.42,-6.43,;14.06,-4.14,;13.58,-2.68,;12.04,-2.68,;11.56,-4.14,;12.81,-5.05,;12.81,-6.59,;14.14,-7.36,;11.47,-7.37,;10.14,-6.6,;8.8,-7.37,;8.8,-8.91,;7.46,-6.6,;6.13,-7.37,;6.13,-8.91,;4.79,-9.68,;4.79,-6.6,;4.79,-5.06,;3.47,-7.37,;2.14,-6.6,;2.14,-5.06,;.8,-4.29,;.8,-2.75,;-.52,-1.98,;-1.85,-2.75,;-3.19,-1.98,;-1.86,-4.29,;.8,-7.37,;-.53,-6.6,;.8,-8.91,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: