Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOrexin/Hypocretin receptor type 1
LigandBDBM50318694
Substrate/Competitorn/a
Meas. Tech.ChEMBL_633508 (CHEMBL1119822)
Ki 54±n/a nM
Citation Cox, CDBreslin, MJWhitman, DBSchreier, JDMcGaughey, GBBogusky, MJRoecker, AJMercer, SPBednar, RALemaire, WBruno, JGReiss, DRHarrell, CMMurphy, KLGarson, SLDoran, SMPrueksaritanont, TAnderson, WBTang, CRoller, SCabalu, TDCui, DHartman, GDYoung, SDKoblan, KSWinrow, CJRenger, JJColeman, PJ Discovery of the dual orexin receptor antagonist [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the treatment of insomnia. J Med Chem53:5320-32 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Orexin/Hypocretin receptor type 1
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:
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVA
LVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCK
VIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQA
AVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFR
KLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKML
MVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNF
LSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSV
TTVLP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50318694
n/a
NameBDBM50318694
Synonyms:2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline | CHEMBL1082414
TypeSmall organic molecule
Emp. Form.C23H23N7O
Mol. Mass.413.475
SMILESC[C@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2ccccc2n1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: