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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	MLS000096514
Molecular formula	C16H11NO4S2
IUPAC name	(2-oxooxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
Molecular weight	345.387
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	CHEMBL1336039 REGID_FOR_CID_2997660 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (2-ketotetrahydrofuran-3-yl) ester HMS2336B11 SR-01000040203-1 (2-oxooxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate BDBM38923 MLS002633098 452965-11-6 cid_2997660 SMR000062409 AC1MH7TZ MCULE-1025258323 Z19245134 2-oxooxolan-3-yl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate MolPort-004-014-588 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid (2-oxo-3-oxolanyl) ester HMS1744G05 SR-01000040203 (2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate AKOS033667207 [ Show all ]
Inchi Key	AKUDASUHMBZVPZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
PubChem CID	2997660
ChEMBL	CHEMBL1336039
IUPHAR	N/A
BindingDB	38923
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	<88800.0 nM	PubChem BioAssay data set	ChEMBL
IC50	11400.0 nM	PubChem BioAssay data set	ChEMBL

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