Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559734
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.10±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:
BDBM559734
Synonyms:
WO2022109117, Example 79
Type:
Small organic molecule
Emp. Form.:
C22H33N3O6S
Mol. Mass.:
467.579
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3C |wD:1.0,3.3,9.29,(-.94,-5.15,;-.57,-3.68,;-1.54,-2.51,;-.73,-1.23,;-1.29,.18,;-2.8,.4,;-4.3,.62,;-3.01,-1.1,;-2.58,1.9,;.74,-1.6,;1.23,-.1,;2.27,1.13,;3.88,1.46,;5.21,2.29,;6.64,1.71,;6.85,.16,;5.55,-.68,;4.18,-.05,;7.96,-1.03,;7.22,-2.39,;7.94,-3.75,;7.07,-5.02,;5.77,-5.85,;4.23,-6.02,;2.75,-5.57,;1.55,-4.55,;.36,-5.49,;.84,-3.12,;9.5,-3.8,;10.24,-2.47,;9.52,-1.13,;10.34,.15,)|
Structure:
Search PDB for entries with ligand similarity: