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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3691825
Molecular formula	C21H19F3N6O2
IUPAC name	[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight	444.418
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	3.5
Synonyms	US8969352, 22 US8969352, 25 US8969352, 23 BDBM143761 SCHEMBL16045083 US8969352, 24 [ Show all ]
Inchi Key	DIVFYQCMVDWPOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19F3N6O2/c1-12-2-4-15(30-26-6-7-27-30)19(28-12)20(31)29-11-13-8-16(29)17(9-13)32-18-5-3-14(10-25-18)21(22,23)24/h2-7,10,13,16-17H,8-9,11H2,1H3
PubChem CID	86271694
ChEMBL	CHEMBL3691825
IUPHAR	N/A
BindingDB	143761
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	<10000.0 nM	, None	BindingDB,ChEMBL
Ki	466.0 nM	, None	BindingDB,ChEMBL
Ki	692.0 nM	, None	BindingDB,ChEMBL
Ki	1000.0 nM	, None	BindingDB,ChEMBL

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