Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50133878
Substrate
n/a
Meas. Tech.
ChEMBL_1526534 (CHEMBL3635422)
Ki
778±n/a nM
Citation
 Behnke, D; Cotesta, S; Hintermann, S; Fendt, M; Gee, CE; Jacobson, LH; Laue, G; Meyer, A; Wagner, T; Badiger, S; Chaudhari, V; Chebrolu, M; Pandit, C; Hoyer, D; Betschart, C Discovery of 1H-pyrazolo[3,4-b]pyridines as potent dual orexin receptor antagonists (DORAs). Bioorg Med Chem Lett 25:5555-60 (2015) [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:
BDBM50133878
Synonyms:
CHEMBL3634026
Type:
Small organic molecule
Emp. Form.:
C21H26F2N6O2
Mol. Mass.:
432.4669
SMILES:
CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1)c1c(C)nn(C)c1C
Structure:
Search PDB for entries with ligand similarity: