Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559677
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.23±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:
BDBM559677
Synonyms:
WO2022109117, Example 22
Type:
Small organic molecule
Emp. Form.:
C26H41N3O4S
Mol. Mass.:
491.686
SMILES:
C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(CCCCCC(=O)N12)c3 |wD:3.3,14.14,17.16,11.34,1.0,(16.59,6.33,;16.09,4.9,;16.95,3.65,;16.03,2.44,;16.46,.99,;17.93,.64,;18.28,2.11,;17.58,-.83,;19.41,.29,;19.84,-1.16,;20.45,1.39,;14.6,2.95,;13.99,1.5,;12.85,.42,;11.3,.14,;11.04,1.65,;9.62,2.19,;8.37,1.3,;8.65,-.24,;10.07,-.81,;7.16,2.39,;5.61,2.3,;4.7,3.53,;5.34,4.91,;6.87,5.11,;7.57,6.51,;8.71,7.54,;10.18,7.98,;11.71,7.85,;13.09,7.15,;14.12,5.98,;15.43,6.74,;14.63,4.46,;7.72,3.83,)|
Structure:
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