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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	CHEMBL3704958
Molecular formula	C23H23N7O
IUPAC name	[(2S,3R)-2-methyl-3-(quinazolin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight	413.485
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	US9115117, 39 BDBM175137 SCHEMBL16078131
Inchi Key	FIOCWYORYODYRN-QFBILLFUSA-N
Inchi ID	InChI=1S/C23H23N7O/c1-16-19(27-23-24-15-17-7-2-4-9-20(17)28-23)10-6-14-29(16)22(31)18-8-3-5-11-21(18)30-25-12-13-26-30/h2-5,7-9,11-13,15-16,19H,6,10,14H2,1H3,(H,24,27,28)/t16-,19+/m0/s1
PubChem CID	86271315
ChEMBL	CHEMBL3704958
IUPHAR	N/A
BindingDB	175137
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	32.0 nM	, None	BindingDB,ChEMBL

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