Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50423648
Substrate
n/a
Meas. Tech.
ChEMBL_1879203 (CHEMBL4380597)
Ki
794±n/a nM
Citation
 Rappas, M; Ali, AAE; Bennett, KA; Brown, JD; Bucknell, SJ; Congreve, M; Cooke, RM; Cseke, G; de Graaf, C; Doré, AS; Errey, JC; Jazayeri, A; Marshall, FH; Mason, JS; Mould, R; Patel, JC; Tehan, BG; Weir, M; Christopher, JA Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J Med Chem 63:1528-1543 (2020) [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:
BDBM50423648
Synonyms:
CHEMBL1334465 | SB-408124
Type:
Small organic molecule
Emp. Form.:
C19H18F2N4O
Mol. Mass.:
356.3692
SMILES:
CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1
Structure:
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