Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559700
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.32±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:
BDBM559700
Synonyms:
WO2022109117, Example 45
Type:
Small organic molecule
Emp. Form.:
C23H33FN2O6S
Mol. Mass.:
484.581
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(F)cc(OCCCOC(=O)N12)c3 |wD:1.0,3.3,9.33,(17.42,6.56,;16.91,5.12,;17.78,3.87,;16.85,2.66,;17.29,1.2,;18.77,.85,;20.25,.5,;19.12,2.33,;18.41,-.63,;15.42,3.17,;14.81,1.71,;13.66,.63,;12.11,.34,;11.84,1.86,;10.43,2.41,;9.17,1.51,;9.45,-.03,;10.88,-.61,;7.95,2.6,;6.39,2.52,;5.48,3.75,;3.97,3.6,;6.13,5.14,;7.66,5.34,;8.37,6.74,;9.51,7.78,;10.98,8.22,;12.52,8.08,;13.9,7.38,;14.93,6.21,;16.25,6.97,;15.45,4.69,;8.51,4.06,)|
Structure:
Search PDB for entries with ligand similarity: