Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559735
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.23±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:
BDBM559735
Synonyms:
WO2022109117, Example 80
Type:
Small organic molecule
Emp. Form.:
C23H35N3O6S
Mol. Mass.:
481.606
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(C)c(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.33,(15.17,5.87,;14.66,4.43,;15.53,3.18,;14.6,1.97,;15.04,.51,;16.52,.16,;18,-.2,;16.87,1.64,;16.17,-1.33,;13.17,2.47,;12.56,1.02,;11.41,-.06,;9.86,-.35,;9.59,1.17,;8.17,1.71,;6.91,.82,;7.19,-.73,;8.62,-1.3,;5.69,1.91,;4.13,1.83,;3.22,3.06,;3.86,4.45,;2.96,5.68,;5.4,4.65,;6.11,6.05,;7.26,7.09,;8.73,7.54,;10.27,7.4,;11.65,6.7,;12.68,5.52,;14,6.29,;13.2,4,;6.26,3.36,)|
Structure:
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