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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	Seltorexant
Molecular formula	C21H22FN7O
IUPAC name	[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
Molecular weight	407.453
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.8
Synonyms	BDBM118454 MIN-202 [5-(4,6-Dimethyl-pyrimidin-2-yl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-(2-fluoro-6-[1,2,3]triazol-2-yl-phenyl)-methanone ((3aR,6aS)-5-(4,6-dimethylpyrimidin- 2-yl)hexahydropyrrolo(3,4-c)pyrrol-2(1H)-yl)(2-fluoro- 6-(2H-1,2,3-triazol-2-yl)phenyl)methanone CS-0030510 JNJ-922 US8653263, 107 SB19652 GTPL9308 Seltorexant [USAN] AKOS032954213 Methanone, (5-(4,6-dimethyl-2-pyrimidinyl)hexahydropyrrolo(3,4-C)pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)- [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone CHEMBL3597971 SCHEMBL1671257 1293281-49-8 JNJ-42847922 SQOCEMCKYDVLMM-UHFFFAOYSA-N [ Show all ]
Inchi Key	SQOCEMCKYDVLMM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
PubChem CID	67116280
ChEMBL	CHEMBL3597971
IUPHAR	9308
BindingDB	118454
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	7.9 nM	PMID26177655	IUPHAR

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