Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM326712
Substrate
n/a
Meas. Tech.
ChEMBL_2075629 (CHEMBL4731163)
Ki
130±n/a nM
Citation
 Préville, C; Bonaventure, P; Koudriakova, T; Lord, B; Nepomuceno, D; Rizzolio, M; Mani, N; Coe, KJ; Ndifor, A; Dugovic, C; Dvorak, CA; Coate, H; Pippel, DJ; Fitzgerald, A; Allison, B; Lovenberg, TW; Carruthers, NI; Shireman, BT Substituted Azabicyclo[2.2.1]heptanes as Selective Orexin-1 Antagonists: Discovery of JNJ-54717793. ACS Med Chem Lett 11:2002-2009 (2020) [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:
BDBM326712
Synonyms:
(R/S)-(3-fluoro-2-(pyrimidin-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone | US9637496, 429
Type:
Small organic molecule
Emp. Form.:
C23H18F4N4O2
Mol. Mass.:
458.4082
SMILES:
Fc1cccc(C(=O)N2C3CCC2C(C3)Oc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |TLB:15:13:11.10:8|
Structure:
Search PDB for entries with ligand similarity: