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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	SMR000010089
Molecular formula	C20H20N2O3
IUPAC name	3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
Molecular weight	336.391
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	3-Methyl-benzofuran-2-carboxylic acid (4-morpholin-4-yl-phenyl)-amide AC1LDGFU HMS2408B07 STK953152 3-methyl-N-(4-morpholinophenyl)coumarilamide BDBM79793 MolPort-001-956-613 346455-67-2 cid_647689 REGID_FOR_CID_647689 ZINC267374 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide AKOS000521349 MCULE-8476195853 3-methyl-N-[4-(4-morpholinyl)phenyl]-2-benzofurancarboxamide Oprea1_194113 F3273-0636 3-methyl-N-(4-morpholinophenyl)benzofuran-2-carboxamide BAS 01135030 MLS000035891 3-methyl-N-[4-(morpholin-4-yl)phenyl]-1-benzofuran-2-carboxamide CHEMBL1416951 Oprea1_349889 [ Show all ]
Inchi Key	AELDAMOGYZQRRC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N2O3/c1-14-17-4-2-3-5-18(17)25-19(14)20(23)21-15-6-8-16(9-7-15)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3,(H,21,23)
PubChem CID	647689
ChEMBL	CHEMBL1416951
IUPHAR	N/A
BindingDB	79793
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	<88800.0 nM	PubChem BioAssay data set	ChEMBL

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