Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559711
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.11±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:
BDBM559711
Synonyms:
WO2022109117, Example 56
Type:
Small organic molecule
Emp. Form.:
C21H30FN3O6S
Mol. Mass.:
471.543
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(F)c(OCCOC(=O)N12)n3 |wD:1.0,3.3,9.32,(-.41,-5.44,;-.04,-3.96,;-1.01,-2.8,;-.2,-1.51,;-.76,-.1,;-2.27,.12,;-3.77,.33,;-2.49,-1.39,;-2.05,1.62,;1.27,-1.88,;1.76,-.38,;2.79,.85,;4.41,1.17,;5.74,2.01,;7.17,1.43,;7.37,-.13,;6.08,-.96,;4.71,-.33,;8.48,-1.32,;10.05,-1.41,;10.76,-2.76,;10.03,-4.08,;10.78,-5.4,;8.47,-4.04,;7.6,-5.31,;6.3,-6.14,;4.76,-6.31,;3.28,-5.85,;2.08,-4.84,;.88,-5.77,;1.37,-3.4,;7.75,-2.68,)|
Structure:
Search PDB for entries with ligand similarity: