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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Orexin receptor type 2
Species	Rattus norvegicus (Rat)
Gene	Hcrtr2
Synonym	hypocretin receptor 2 Hypocretin receptor type 2 hypocretin (orexin) receptor 2 orexin receptor type 2 Ox-2-R OX2 receptor Ox2-R OX2R [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MSSTKLEDSLPRRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVVIWIVSCIIMIPQAIVMERSSMLPGLANKTTLFTVCDERWGGEVYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKQPQPVSQPRGSGQQSKARISAVAAEIKQIRARRKTARMLMVVLLVFAICYLPISILNVLKRVFGMFTHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCLGVHRRQGDRLARGRTSTESRKSLTTQISNFDNVSKLSEHVALTSISTLPAANGAGPLQNWYLQQGVPSSLLSTWLEV
UniProt	P56719
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	CHEMBL1275216
IUPHAR	322
DrugBank	N/A

Ligand

Name	CHEMBL3394848
Molecular formula	C23H19F2N5O2
IUPAC name	[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight	435.435
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.5
Synonyms	BDBM50060937 SCHEMBL15882103
Inchi Key	VCYRJXZNOOUBSE-FQEVSTJZSA-N
Inchi ID	InChI=1S/C23H19F2N5O2/c24-23(25)11-14-29(22(31)17-6-2-4-8-19(17)30-26-12-13-27-30)15-20(23)32-21-10-9-16-5-1-3-7-18(16)28-21/h1-10,12-13,20H,11,14-15H2/t20-/m0/s1
PubChem CID	77107594
ChEMBL	CHEMBL3394848
IUPHAR	N/A
BindingDB	50060937
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	1307.0 nM	PMID27818110	BindingDB,ChEMBL

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