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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	CHEMBL524440
Molecular formula	C20H26N2O4S
IUPAC name	N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
Molecular weight	390.498
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	STL222606 MolPort-006-783-350 SR-01000497804 BDBM50293205 ZINC6728311 EU-0012271 N,N-diethyl-2-(4-methoxy-N-p-tolylphenylsulfonamido)acetamide SR-01000497804-1 MCULE-1689567511 N,N-diethyl-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(4-methylphenyl)glycinamide AKOS000385001 [ Show all ]
Inchi Key	AIXCMUNOUXBXJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N2O4S/c1-5-21(6-2)20(23)15-22(17-9-7-16(3)8-10-17)27(24,25)19-13-11-18(26-4)12-14-19/h7-14H,5-6,15H2,1-4H3
PubChem CID	15993497
ChEMBL	CHEMBL524440
IUPHAR	N/A
BindingDB	50293205
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	661.0 nM	PMID18845436	BindingDB,ChEMBL

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