Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559668
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.20±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:
BDBM559668
Synonyms:
WO2022109117, Example 13
Type:
Small organic molecule
Emp. Form.:
C24H37N3O6S
Mol. Mass.:
495.632
SMILES:
C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCOC(=O)N12)c3 |wD:1.0,3.3,14.14,17.16,11.34,(17.2,6.5,;16.7,5.06,;17.56,3.81,;16.64,2.6,;17.07,1.14,;18.55,.79,;18.91,2.27,;18.2,-.69,;20.03,.44,;20.47,-1.02,;21.08,1.55,;15.2,3.11,;14.6,1.65,;13.45,.58,;11.9,.29,;11.63,1.8,;10.21,2.35,;8.95,1.45,;9.24,-.09,;10.66,-.66,;7.74,2.55,;6.18,2.46,;5.27,3.69,;5.91,5.08,;7.45,5.28,;8.15,6.68,;9.3,7.72,;10.77,8.16,;12.31,8.02,;13.69,7.32,;14.72,6.15,;16.04,6.91,;15.24,4.63,;8.3,4,)|
Structure:
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