Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM387104
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
3240±n/a nM
Citation
 Kim, RM; Kuduk, SD; Liverton, N; Zhou, G 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists US Patent  US9938276 Publication Date 4/10/2018 
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:
BDBM387104
Synonyms:
6-chloro-N,N-dimethyl-2-[(3aR, 7aR)-6-{[2- (2H-1,2,3-triazol-2- yl)phenyl]carbonyl}octahydro-1H-pyrrolo[2,3- c]pyridin-1-yl]pyrimidin-4-amine | US9938276, A18
Type:
Small organic molecule
Emp. Form.:
C25H27N7O
Mol. Mass.:
441.5282
SMILES:
CC(C)c1ccnc(N2CC[C@@H]3CCN(C[C@H]23)C(=O)c2ccccc2-n2nccn2)c1C#N
Structure:
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