Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559699
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.28±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:
BDBM559699
Synonyms:
WO2022109117, Example 44
Type:
Small organic molecule
Emp. Form.:
C24H35FN2O5S
Mol. Mass.:
482.609
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(F)cc(OCCCCC(=O)N12)c3 |wD:1.0,3.3,9.33,(17.39,6.55,;16.89,5.11,;17.75,3.86,;16.83,2.66,;17.26,1.2,;18.74,.85,;20.22,.5,;19.09,2.33,;18.39,-.63,;15.4,3.16,;14.79,1.71,;13.64,.63,;12.09,.34,;11.83,1.86,;10.41,2.4,;9.15,1.51,;9.44,-.03,;10.86,-.61,;7.94,2.6,;6.38,2.52,;5.47,3.74,;3.96,3.59,;6.12,5.13,;7.65,5.33,;8.36,6.73,;9.5,7.77,;10.97,8.21,;12.51,8.07,;13.89,7.37,;14.91,6.2,;16.23,6.96,;15.43,4.68,;8.5,4.05,)|
Structure:
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