Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559723
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.33±n/a nM
Citation
 L., BS; Ping, C; James, CD; Jian, L; T., RM; Li, X; Dexi, Y; Shishi, L 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS WIPO 0:0 (2022) [PubMed] 
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:
BDBM559723
Synonyms:
WO2022109117, Example 68
Type:
Small organic molecule
Emp. Form.:
C22H30F3N3O6S
Mol. Mass.:
521.55
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3C(F)(F)F |wD:1.0,3.3,9.29,(-.72,-5.3,;-.34,-3.82,;-1.32,-2.65,;-.5,-1.35,;-1.07,.06,;-2.58,.28,;-4.09,.5,;-2.8,-1.23,;-2.36,1.79,;.98,-1.73,;1.46,-.22,;2.51,1.02,;4.13,1.34,;5.46,2.19,;6.9,1.6,;7.11,.04,;5.81,-.81,;4.43,-.17,;8.22,-1.16,;7.48,-2.52,;8.21,-3.89,;7.33,-5.17,;6.03,-6,;4.48,-6.17,;2.99,-5.72,;1.79,-4.7,;.59,-5.63,;1.08,-3.25,;9.77,-3.93,;10.51,-2.6,;9.8,-1.25,;10.62,.03,;9.92,1.39,;12.14,-.04,;11.32,-1.32,)|
Structure:
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