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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 2
Species	Homo sapiens (Human)
Gene	HCRTR2
Synonym	Ox-2-R OX2 receptor Ox2-R OX2R orexin receptor type 2 Hypocretin receptor type 2 hypocretin receptor 2 hypocretin (orexin) receptor 2 [ Show all ]
Disease	Insomnia
Length	444
Amino acid sequence	MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
UniProt	O43614
Protein Data Bank	5ws3, 5wqc, 4s0v, 4rnb
GPCR-HGmod model	O43614
3D structure model	This structure is from PDB ID 5ws3.
BioLiP	BL0303710, BL0398950, BL0397818, BL0302679
Therapeutic Target Database	T69485
ChEMBL	CHEMBL4792
IUPHAR	322
DrugBank	BE0005865

Ligand

Name	SCHEMBL4534316
Molecular formula	C20H16F7NO2
IUPAC name	6-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
Molecular weight	435.342
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	5.3
Synonyms	US9242970, 227 CHEMBL3964922 BDBM203056
Inchi Key	AKHRIKMRYSIIOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16F7NO2/c21-15-4-1-3-14(19(22,23)24)18(15)16-5-2-6-17(29)28(16)11-12-7-9-13(10-8-12)30-20(25,26)27/h1,3-4,7-10,16H,2,5-6,11H2
PubChem CID	87685583
ChEMBL	CHEMBL3964922
IUPHAR	N/A
BindingDB	203056
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5896.0 nM	, None	BindingDB,ChEMBL

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