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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	MLS001177268
Molecular formula	C22H22N2O3
IUPAC name	2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
Molecular weight	362.429
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.6
Synonyms	2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide AKOS033940326 MolPort-004-153-666 2-(3-acetamidophenoxy)-N-[1-(2-naphthyl)ethyl]acetamide CHEMBL1534057 Z25385150 878215-98-6 MCULE-4253704438 2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)ethanamide BDBM79920 REGID_for_CID_16338637 2-(3-acetamidophenoxy)-N-[1-(naphthalen-2-yl)ethyl]acetamide cid_16338637 AB00747880-01 2-(3-acetamidophenoxy)-N-[1-(2-naphthalenyl)ethyl]acetamide SMR000592055 HMS2888G22 [ Show all ]
Inchi Key	ABSPCBSIRGQAKA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N2O3/c1-15(18-11-10-17-6-3-4-7-19(17)12-18)23-22(26)14-27-21-9-5-8-20(13-21)24-16(2)25/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)
PubChem CID	16338637
ChEMBL	CHEMBL1534057
IUPHAR	N/A
BindingDB	79920
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	<50000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	30000.0 nM	PubChem BioAssay data set	ChEMBL

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