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GLASS

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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	CHEMBL3910747
Molecular formula	C21H20F3N7O
IUPAC name	N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
Molecular weight	443.434
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	2.4
Synonyms	N-[(1S,2S)-2-Methyl-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-3-(pyrimidin-2-yl)pyridine-2-carboxamide SCHEMBL17007099 AJQQNAKJDAXLKA-XOBRGWDASA-N US9156829, 144 BDBM185323
Inchi Key	AJQQNAKJDAXLKA-XOBRGWDASA-N
Inchi ID	InChI=1S/C21H20F3N7O/c1-20(31-16-12-28-15(11-29-16)21(22,23)24)7-2-6-14(20)30-19(32)17-13(5-3-8-25-17)18-26-9-4-10-27-18/h3-5,8-12,14H,2,6-7H2,1H3,(H,29,31)(H,30,32)/t14-,20-/m0/s1
PubChem CID	118308050
ChEMBL	CHEMBL3910747
IUPHAR	N/A
BindingDB	185323
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	13.0 nM	, None	BindingDB,ChEMBL

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