Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559746
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.30±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:
BDBM559746
Synonyms:
WO2022109117, Example 91
Type:
Small organic molecule
Emp. Form.:
C23H36N4O5S
Mol. Mass.:
480.621
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(n3)N(C)CCCOC(=O)N12 |wD:3.3,9.35,1.0,(14.34,5.61,;13.83,4.17,;14.7,2.92,;13.77,1.71,;14.21,.25,;15.69,-.1,;17.17,-.45,;16.04,1.38,;15.34,-1.58,;12.34,2.22,;11.73,.76,;10.58,-.32,;9.03,-.61,;8.76,.91,;7.34,1.46,;6.08,.56,;6.37,-.98,;7.79,-1.56,;4.87,1.65,;3.31,1.57,;2.39,2.8,;3.04,4.19,;4.57,4.39,;5.43,3.11,;5.28,5.8,;4.07,6.72,;6.43,6.83,;7.9,7.27,;9.44,7.14,;10.82,6.44,;11.85,5.26,;13.17,6.03,;12.37,3.74,)|
Structure:
Search PDB for entries with ligand similarity: