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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Orexin receptor type 1
Species	Rattus norvegicus (Rat)
Gene	Hcrtr1
Synonym	hypocretin (orexin) receptor 1 hypocretin receptor 1 Hypocretin receptor type 1 Hctr1 orexin receptor type 1 Ox-1-R OX1 receptor Ox1-R OX1R [ Show all ]
Disease	N/A for non-human GPCRs
Length	416
Amino acid sequence	MEPSATPGAQPGVPTSSGEPFHLPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFLIALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAVMVPQAAVMECSSVLPELANRTRLFSVCDERWADELYPKIYHSCFFFVTYLAPLGLMGMAYFQIFRKLWGPQIPGTTSALVRNWKRPSEQLEAQHQGLCTEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPSSSARHKSLSLQSRCSVSKVSEHVVLTTVTTVLS
UniProt	P56718
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075232
IUPHAR	321
DrugBank	N/A

Ligand

Name	CHEMBL3669048
Molecular formula	C20H20F3N7O2
IUPAC name	[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
Molecular weight	447.422
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	3.1
Synonyms	US9115117, 101 BDBM175199 SCHEMBL16031067
Inchi Key	DBJBNLOYFFSGGJ-XJKSGUPXSA-N
Inchi ID	InChI=1S/C20H20F3N7O2/c1-12-8-15(30-27-5-6-28-30)17(24-9-12)18(31)29-7-3-4-16(13(29)2)32-19-25-10-14(11-26-19)20(21,22)23/h5-6,8-11,13,16H,3-4,7H2,1-2H3/t13-,16+/m0/s1
PubChem CID	90404962
ChEMBL	CHEMBL3669048
IUPHAR	N/A
BindingDB	175199
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	215.0 nM	, None	BindingDB,ChEMBL

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