Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM316489
Substrate
n/a
IC50
7821±n/a nM
Citation
 Kuduk, SD; Skudlarek, JW Thioether-piperidinyl orexin receptor antagonists US Patent  US9617246 Publication Date 4/11/2017 
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:
BDBM316489
Synonyms:
2-{[(3R,6R)-1-{[4-methoxy-2-(2H-1,2,3- triazol-2-yl)phenyl]carbonyl}-6- methylpiperidin-3-yl]sulfanyl}pyridine-4- carbonitrile | US9617246, 23
Type:
Small organic molecule
Emp. Form.:
C22H22N6O2S
Mol. Mass.:
434.514
SMILES:
COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Sc2cc(ccn2)C#N)c(c1)-n1nccn1
Structure:
Search PDB for entries with ligand similarity: