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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	Homo sapiens (Human)
Gene	HCRTR1
Synonym	hypocretin receptor 1 OX1R Ox1-R OX1 receptor Ox-1-R orexin receptor type 1 Hctr1 hypocretin (orexin) receptor 1 Hypocretin receptor type 1 [ Show all ]
Disease	Insomnia Sleep disorders; Insomnia; Substance dependence Sleep disorders; Insomnia
Length	425
Amino acid sequence	MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
UniProt	O43613
Protein Data Bank	4zjc, 4zj8
GPCR-HGmod model	O43613
3D structure model	This structure is from PDB ID 4zjc.
BioLiP	BL0339163, BL0339164
Therapeutic Target Database	T73482
ChEMBL	CHEMBL5113
IUPHAR	321
DrugBank	BE0005864

Ligand

Name	CHEMBL3909223
Molecular formula	C26H25FN6O2
IUPAC name	[(2R,5R)-5-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]-2-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight	472.524
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.9
Synonyms	BDBM184109 SCHEMBL16766195 US9150566, 147
Inchi Key	AEIDDRZWBROWDG-WIYYLYMNSA-N
Inchi ID	InChI=1S/C26H25FN6O2/c1-17-4-7-24(33-30-10-11-31-33)22(12-17)26(34)32-15-18(2)35-16-21(32)14-20-13-19(5-6-23(20)27)25-28-8-3-9-29-25/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
PubChem CID	118116741
ChEMBL	CHEMBL3909223
IUPHAR	N/A
BindingDB	184109
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.0 nM	, None	BindingDB,ChEMBL

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