Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559715
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.04±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:
BDBM559715
Synonyms:
WO2022109117, Example 60
Type:
Small organic molecule
Emp. Form.:
C21H31N3O6S
Mol. Mass.:
453.552
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCOC(=O)N12)n3 |wD:1.0,3.3,9.31,(-.5,-5.39,;-.13,-3.92,;-1.1,-2.75,;-.29,-1.46,;-.85,-.05,;-2.36,.17,;-3.86,.38,;-2.58,-1.34,;-2.14,1.67,;1.18,-1.84,;1.67,-.33,;2.7,.9,;4.32,1.22,;5.65,2.06,;7.08,1.48,;7.28,-.08,;5.99,-.92,;4.62,-.28,;8.39,-1.27,;9.96,-1.36,;10.67,-2.71,;9.94,-4.03,;8.38,-3.99,;7.51,-5.26,;6.21,-6.09,;4.67,-6.26,;3.19,-5.8,;1.99,-4.79,;.79,-5.72,;1.28,-3.35,;7.66,-2.63,)|
Structure:
Search PDB for entries with ligand similarity: