Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559716
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.05±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:
BDBM559716
Synonyms:
WO2022109117, Example 61
Type:
Small organic molecule
Emp. Form.:
C22H33N3O6S
Mol. Mass.:
467.579
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.32,(16.42,6.26,;15.92,4.82,;16.78,3.57,;15.86,2.36,;16.29,.91,;17.77,.55,;19.25,.2,;18.13,2.03,;17.42,-.93,;14.42,2.87,;13.82,1.42,;12.67,.34,;11.12,.05,;10.85,1.56,;9.44,2.11,;8.17,1.22,;8.46,-.33,;9.89,-.9,;6.96,2.31,;5.4,2.22,;4.49,3.45,;5.13,4.84,;6.67,5.04,;7.38,6.45,;8.52,7.48,;9.99,7.92,;11.53,7.79,;12.91,7.09,;13.94,5.91,;15.26,6.68,;14.46,4.39,;7.52,3.76,)|
Structure:
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