Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559736
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.16±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:
BDBM559736
Synonyms:
WO2022109117, Example 81
Type:
Small organic molecule
Emp. Form.:
C22H31F2N3O6S
Mol. Mass.:
503.56
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCCOC(=O)N12)c(F)cc3F |wD:1.0,3.3,9.30,(15.06,5.83,;14.55,4.4,;15.41,3.14,;14.49,1.93,;14.93,.47,;16.41,.12,;17.89,-.23,;16.76,1.6,;16.06,-1.36,;13.05,2.44,;12.45,.98,;11.3,-.09,;9.74,-.38,;9.48,1.13,;8.06,1.68,;6.79,.78,;7.08,-.76,;8.51,-1.34,;5.58,1.88,;6.14,3.33,;5.29,4.62,;5.99,6.02,;7.14,7.06,;8.62,7.5,;10.16,7.36,;11.54,6.66,;12.57,5.49,;13.89,6.25,;13.09,3.96,;3.75,4.41,;2.85,5.64,;3.11,3.02,;4.02,1.79,;3.37,.41,)|
Structure:
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