Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50444608
Substrate
n/a
Meas. Tech.
ChEMBL_1283183 (CHEMBL3101094)
Ki
65000±n/a nM
Citation
 Mercer, SP; Roecker, AJ; Garson, S; Reiss, DR; Meacham Harrell, C; Murphy, KL; Bruno, JG; Bednar, RA; Lemaire, W; Cui, D; Cabalu, TD; Tang, C; Prueksaritanont, T; Hartman, GD; Young, SD; Winrow, CJ; Renger, JJ; Coleman, PJ Discovery of 2,5-diarylnicotinamides as selective orexin-2 receptor antagonists (2-SORAs). Bioorg Med Chem Lett 23:6620-4 (2013) [PubMed]  Article 
Target
Name:
Orexin/Hypocretin receptor type 1
Synonyms:
HCRTR1 | Hypocretin receptor type 1 | OX1R_HUMAN | Orexin receptor type 1 | Orexin receptor type 1 (OR 1) | Orexin receptor type 1 (OR-1) | Orexin receptor type 1 (OX1) | Orexin receptor type 1 (OX1R) | Orexin receptor type 1 (OxR1) | Ox1r
Type:
Protein
Mol. Mass.:
47554.50
Organism:
Homo sapiens (Human)
Description:
O43613
Residue:
425
Sequence:
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
  
Inhibitor
Name:
BDBM50444608
Synonyms:
CHEMBL3099896
Type:
Small organic molecule
Emp. Form.:
C28H21F6N3O3
Mol. Mass.:
561.4751
SMILES:
COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1OC
Structure:
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