Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559697
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.17±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:
BDBM559697
Synonyms:
WO2022109117, Example 42
Type:
Small organic molecule
Emp. Form.:
C23H33FN2O6S
Mol. Mass.:
484.581
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cc(F)cc(OCCCOC(=O)N12)c3 |wU:1.0,3.3,12.12,15.14,9.33,(18.09,4.06,;16.93,5.05,;17.05,6.57,;15.65,7.15,;15.3,8.63,;16.4,9.68,;17.51,10.72,;17.45,8.57,;15.36,10.78,;14.66,6,;13.41,6.95,;11.87,7.31,;10.39,6.79,;10.91,5.34,;9.96,4.16,;8.42,4.3,;7.9,5.78,;8.84,7,;7.92,2.75,;6.52,2.04,;6.35,.52,;4.96,-.1,;7.6,-.36,;9.03,.24,;10.34,-.63,;11.85,-.95,;13.35,-.6,;14.61,.29,;15.46,1.59,;15.76,3.12,;17.29,3.12,;15.45,4.7,;9.13,1.78,)|
Structure:
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