Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559712
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.13±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:
BDBM559712
Synonyms:
WO2022109117, Example 57
Type:
Small organic molecule
Emp. Form.:
C22H32FN3O6S
Mol. Mass.:
485.569
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(F)c(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.33,(16.71,6.34,;16.2,4.9,;17.07,3.65,;16.14,2.44,;16.58,.98,;18.06,.63,;19.54,.28,;18.41,2.11,;17.7,-.85,;14.71,2.95,;14.1,1.49,;12.95,.41,;11.4,.12,;11.13,1.64,;9.71,2.19,;8.45,1.29,;8.74,-.25,;10.17,-.83,;7.24,2.39,;5.68,2.3,;4.77,3.53,;5.41,4.92,;4.51,6.15,;6.95,5.12,;7.65,6.53,;8.8,7.56,;10.27,8.01,;11.81,7.87,;13.19,7.17,;14.22,5.99,;15.54,6.76,;14.74,4.47,;7.8,3.84,)|
Structure:
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