Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559725
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:
BDBM559725
Synonyms:
WO2022109117, Example 70
Type:
Small organic molecule
Emp. Form.:
C22H33N3O7S
Mol. Mass.:
483.578
SMILES:
COc1cc2OCCOC(=O)N3[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:12.12,15.15,21.21,(12.69,-3.91,;11.95,-2.59,;10.43,-2.57,;9.69,-3.9,;8.14,-3.85,;7.26,-5.13,;5.96,-5.96,;4.42,-6.12,;2.94,-5.67,;1.74,-4.66,;.55,-5.59,;1.04,-3.22,;-.38,-3.78,;-.75,-5.26,;-1.35,-2.62,;-.54,-1.33,;-1.1,.08,;-2.6,.3,;-4.11,.52,;-2.82,-1.21,;-2.39,1.8,;.94,-1.7,;1.42,-.2,;2.46,1.03,;4.07,1.36,;5.4,2.19,;6.83,1.61,;7.04,.05,;5.75,-.78,;4.37,-.15,;8.15,-1.14,;9.71,-1.23,;7.41,-2.49,)|
Structure:
Search PDB for entries with ligand similarity: