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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	CHEMBL3663428
Molecular formula	C23H20F2N4O2
IUPAC name	[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular weight	422.436
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.5
Synonyms	BDBM163993 SCHEMBL16041858 US9062078, 124
Inchi Key	AOCUBVGHAGVKIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20F2N4O2/c24-15-5-8-20(28-12-15)31-13-14-11-16-6-7-19(14)29(16)23(30)17-3-1-4-18(25)21(17)22-26-9-2-10-27-22/h1-5,8-10,12,14,16,19H,6-7,11,13H2
PubChem CID	90413164
ChEMBL	CHEMBL3663428
IUPHAR	N/A
BindingDB	163993
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	83.0 nM	, None	BindingDB,ChEMBL

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