Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559726
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.21±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:
BDBM559726
Synonyms:
WO2022109117, Example 71
Type:
Small organic molecule
Emp. Form.:
C23H35N3O7S
Mol. Mass.:
497.605
SMILES:
COc1cc2OCCCOC(=O)N3[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:13.13,16.16,22.22,(1.33,4.31,;2.22,3.08,;3.74,3.23,;4.38,4.62,;5.92,4.82,;6.63,6.23,;7.78,7.26,;9.25,7.71,;10.79,7.57,;12.17,6.87,;13.2,5.7,;14.52,6.46,;13.72,4.17,;15.18,4.61,;15.69,6.04,;16.05,3.35,;15.12,2.14,;15.56,.68,;17.04,.33,;18.52,-.02,;17.39,1.81,;16.69,-1.15,;13.69,2.65,;13.08,1.19,;11.93,.11,;10.38,-.18,;10.11,1.34,;8.69,1.89,;7.43,.99,;7.71,-.55,;9.14,-1.13,;6.21,2.08,;4.65,2,;6.78,3.54,)|
Structure:
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