Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM294756
Substrate
n/a
Meas. Tech.
Receptor Radioligand Binding Assay
Temperature
298.15±n/a K
Ki
8.00±n/a nM
Comments
extracted
Citation
 Letavic, MA; Rudolph, DA; Savall, BM; Shireman, BT; Swanson, D Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators US Patent  US9586962 Publication Date 3/7/2017 
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:
BDBM294756
Synonyms:
2-(4,6-Dimethylpyrimidin-2-yl)-5-{[3-fluoro-2-(1H-pyrazol-5-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole | US11059828, Example 284 | US11667644, Example 284 | US9586962, Example 284 | USRE48841, Example 284
Type:
Small organic molecule
Emp. Form.:
C22H23FN6O
Mol. Mass.:
406.456
SMILES:
Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ccn[nH]1
Structure:
Search PDB for entries with ligand similarity: