Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559759
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.14±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:
BDBM559759
Synonyms:
WO2022109117, Example 104
Type:
Small organic molecule
Emp. Form.:
C22H32FN3O7S
Mol. Mass.:
501.569
SMILES:
COc1cc2OCCOC(=O)N3[C@H](C)C[C@H](NS(=O)(=O)CF)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:12.12,15.15,22.22,(2.45,1.83,;3.22,3.13,;4.74,3.12,;5.48,4.44,;7.03,4.4,;7.91,5.67,;9.21,6.5,;10.75,6.67,;12.23,6.21,;13.43,5.2,;14.62,6.13,;14.14,3.76,;15.55,4.33,;15.92,5.8,;16.52,3.16,;15.71,1.87,;16.27,.46,;17.78,.25,;17.99,1.75,;17.56,-1.26,;19.28,.03,;19.84,-1.38,;14.24,2.25,;13.75,.75,;12.71,-.49,;11.1,-.81,;9.77,-1.65,;8.34,-1.07,;8.13,.49,;9.43,1.33,;10.8,.69,;7.02,1.68,;5.46,1.77,;7.76,3.04,)|
Structure:
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