Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM559657
Substrate
n/a
Meas. Tech.
IP-One Assay
IC50
0.11±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:
BDBM559657
Synonyms:
WO2022109117, Example 2
Type:
Small organic molecule
Emp. Form.:
C22H30N2O5S
Mol. Mass.:
434.549
SMILES:
C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2CO[C@H]3CC[C@H](CC3)c3ccccc3\C=C/OC(=O)N12 |wU:1.0,3.3,12.17,15.15,9.32,c:26,(7.84,-2.1,;6.55,-1.27,;6.46,.27,;4.97,.66,;4.41,2.09,;5.37,3.29,;6.33,4.5,;6.57,2.33,;4.17,4.26,;4.14,-.64,;2.72,.03,;1.13,.06,;-.2,-.85,;.94,-1.91,;.69,-3.42,;-.71,-4.05,;-1.86,-2.99,;-1.66,-1.45,;-.07,-5.54,;-1.54,-6.01,;-1.86,-7.52,;-.72,-8.55,;.75,-8.08,;1.07,-6.57,;2.72,-6.8,;4.2,-6.14,;5.18,-4.87,;5.49,-3.35,;7.03,-3.32,;5.11,-1.83,)|
Structure:
Search PDB for entries with ligand similarity: