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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	CHEMBL3663549
Molecular formula	C22H18F4N6O
IUPAC name	(3-fluoro-2-pyrazin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	458.421
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM164135 SCHEMBL16081460 US9062078, 265
Inchi Key	CVFCIDFMYLGEOP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18F4N6O/c23-14-3-1-2-13(20(14)16-9-27-6-7-28-16)21(33)32-12-4-5-17(32)15(8-12)31-19-11-29-18(10-30-19)22(24,25)26/h1-3,6-7,9-12,15,17H,4-5,8H2,(H,30,31)
PubChem CID	90445461
ChEMBL	CHEMBL3663549
IUPHAR	N/A
BindingDB	164135
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	20.0 nM	, None	BindingDB,ChEMBL

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