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Target
Orexin receptor type 2
Ligand
BDBM604057
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA) Binding Assay
Ki
2570±n/a nM
Citation
 Micheli, F; Bertani, B; Gibson, KR; Di Fabio, R; Raveglia, L; Zanaletti, R; Cremonesi, S; Pozzan, A; Semeraro, T; Tarsi, L; Luker, TJ Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists US Patent  US11660293 Publication Date 5/30/2023 
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:
BDBM604057
Synonyms:
US11660293, Example 162 | US11660293, Example 164
Type:
Small organic molecule
Emp. Form.:
C24H23FN6OS2
Mol. Mass.:
494.607
SMILES:
C[C@@H]1C2CC(C2)N(C1CNc1nc2ccc(F)cc2s1)C(=O)c1nc(C)sc1-c1ncccn1 |r,wU:1.0,(.26,5.29,;-1.08,4.52,;-2.41,5.29,;-3.75,4.52,;-3.75,2.98,;-2.41,3.75,;-2.41,2.21,;-1.08,2.98,;.26,2.21,;1.59,2.98,;2.92,2.21,;4.33,2.84,;5.36,1.7,;6.9,1.7,;7.67,.36,;6.9,-.97,;7.67,-2.31,;5.36,-.97,;4.59,.36,;3.08,.68,;-2.41,.67,;-1.08,-.1,;-3.75,-.1,;-5.15,.53,;-6.18,-.61,;-7.67,-.22,;-5.41,-1.95,;-3.91,-1.63,;-2.82,-2.72,;-3.22,-4.2,;-2.13,-5.29,;-.64,-4.89,;-.24,-3.41,;-1.33,-2.32,)|
Structure:
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