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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	CHEMBL3663562
Molecular formula	C22H21FN6O
IUPAC name	(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[(5-methylpyrazin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	404.449
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.5
Synonyms	US9062078, 278 BDBM164148 SCHEMBL16081407
Inchi Key	CQQJGVKIPSBGSA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21FN6O/c1-13-11-27-19(12-26-13)28-17-10-14-6-7-18(17)29(14)22(30)15-4-2-5-16(23)20(15)21-24-8-3-9-25-21/h2-5,8-9,11-12,14,17-18H,6-7,10H2,1H3,(H,27,28)
PubChem CID	90445410
ChEMBL	CHEMBL3663562
IUPHAR	N/A
BindingDB	164148
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	87.0 nM	, None	BindingDB,ChEMBL

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