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GLASS

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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	SCHEMBL1671936
Molecular formula	C21H23N7O
IUPAC name	[6-(4,6-dimethylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight	389.463
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.8
Synonyms	ACJPUSZQFBKUFF-UHFFFAOYSA-N CHEMBL3665643 BDBM119513 6-(4,6-Dimethylpyrimidin-2-yl)-3-{[5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-3,6-diazabicyclo[3.2.0]heptane US8680275, 68
Inchi Key	ACJPUSZQFBKUFF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N7O/c1-13-4-5-18(28-22-6-7-23-28)17(8-13)20(29)26-10-16-11-27(19(16)12-26)21-24-14(2)9-15(3)25-21/h4-9,16,19H,10-12H2,1-3H3
PubChem CID	52919439
ChEMBL	CHEMBL3665643
IUPHAR	N/A
BindingDB	119513
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	192.0 nM	, None	BindingDB,ChEMBL

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