Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50252445
Substrate
n/a
Meas. Tech.
ChEBML_1684939
Ki
0.200000±n/a nM
Citation
 Zheng, Y; Tice, CM; Singh, SB Conformational control in structure-based drug design. Bioorg Med Chem Lett 27:2825-2837 (2017) [PubMed]  Article 
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:
BDBM50252445
Synonyms:
CHEMBL4070855
Type:
Small organic molecule
Emp. Form.:
C22H24FN5O2
Mol. Mass.:
409.4567
SMILES:
C[C@H]1[C@H](COc2ccc(F)cn2)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r|
Structure:
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