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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	SCHEMBL1717126
Molecular formula	C24H23FN4O4
IUPAC name	3-[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidine-1-carbonyl]-4-pyrimidin-2-ylbenzoic acid
Molecular weight	450.47
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.1
Synonyms	BDBM104695 US8569311, H-4 CHEMBL3655668
Inchi Key	NAEPLEBEZUHESC-HZPDHXFCSA-N
Inchi ID	InChI=1S/C24H23FN4O4/c1-15-3-4-16(14-33-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24(31)32)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3,(H,31,32)/t15-,16-/m1/s1
PubChem CID	25123839
ChEMBL	CHEMBL3655668
IUPHAR	N/A
BindingDB	104695
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	84.0 nM	, None	BindingDB,ChEMBL

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