Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM514601
Substrate
n/a
Meas. Tech.
Receptor Activity Assay
IC50
0.230±n/a nM
Citation
 Bogen, SL; Clausen, DJ; Guiadeen, DG; Rudd, MT; Yang, D 5-alkyl pyrrolidine orexin receptor agonists US Patent  US11098029 Publication Date 8/24/2021 
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:
BDBM514601
Synonyms:
US11098029, Example 37
Type:
Small organic molecule
Emp. Form.:
C36H46FN3O6S
Mol. Mass.:
667.83
SMILES:
COc1ccc(CN([C@H]2C[C@@H](C)N([C@H]2CO[C@H]2CC[C@H](CC2)c2cccc(F)c2)C(=O)OCc2ccccc2)S(=O)(=O)N(C)C)cc1 |r,wU:10.10,8.7,13.14,16.16,19.23,(-8.92,-1.04,;-7.39,-1.2,;-6.49,.05,;-7.11,1.45,;-6.21,2.7,;-4.67,2.54,;-3.77,3.78,;-2.24,3.62,;-1.33,4.87,;-1.81,6.33,;-.56,7.24,;-.56,8.78,;.68,6.33,;.21,4.87,;1.11,3.62,;2.64,3.78,;3.55,2.54,;5.08,2.7,;5.99,1.45,;5.36,.05,;3.83,-.12,;2.92,1.13,;6.26,-1.2,;5.64,-2.61,;6.54,-3.85,;8.08,-3.69,;8.7,-2.29,;10.23,-2.12,;7.8,-1.04,;2.15,6.81,;3.29,5.78,;2.47,8.31,;1.32,9.35,;1.64,10.85,;.5,11.88,;.82,13.39,;2.28,13.86,;3.43,12.83,;3.11,11.33,;-1.61,2.22,;-.2,2.84,;-3.02,1.59,;-.99,.81,;.55,.65,;-1.89,-.44,;-4.05,1.13,;-4.95,-.12,)|
Structure:
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