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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	CHEMBL3691815
Molecular formula	C24H21F3N4O3
IUPAC name	(4-methoxy-2-pyrimidin-2-ylphenyl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight	470.452
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	3.8
Synonyms	US8969352, 12 BDBM143751 SCHEMBL16044257
Inchi Key	DSTQNGFYZOHDRW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21F3N4O3/c1-33-16-4-5-17(18(11-16)22-28-7-2-8-29-22)23(32)31-13-14-9-19(31)20(10-14)34-21-6-3-15(12-30-21)24(25,26)27/h2-8,11-12,14,19-20H,9-10,13H2,1H3
PubChem CID	86271788
ChEMBL	CHEMBL3691815
IUPHAR	N/A
BindingDB	143751
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	44.0 nM	, None	BindingDB,ChEMBL

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