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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	MK-3697
Molecular formula	C23H21N5O3S
IUPAC name	N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
Molecular weight	447.513
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.5
Synonyms	compound 24 [PMID: 25248679] MK 3697;MK3697 N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide VSOUDUXMPUHJEU-UHFFFAOYSA-N AS-17000 FT-0700429 MolPort-028-720-428 NCGC00387851-04 1224846-01-8 J-690073 N-[(5,6-Dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)-[2,3'-bipyridine]-4-carboxamide UNII-M8238285OA AKOS026750261 CS-3376 N-[(5,6-Dimethoxypyridin-2-yl)methyl]-5'-methyl-5-(1,3-thiazol-2-yl)-2,3'-bipyridine-4-carboxamide ZINC96177816 (2,3'-Bipyridine)-4-carboxamide, N-((5,6-dimethoxy-2-pyridinyl)methyl)-5'-methyl-5-(2-thiazolyl)- BCP08557 GTPL9307 N-((5,6-Dimethoxy-2-pyridinyl)methyl)-5'-methyl-5-(2-thiazolyl)(2,3'-bipyridine)-4-carboxamide QC-11637 3859AH CHEMBL3338865 M8238285OA N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)[2,3'-bipyridine]-4-carboxamide US8592457, 7-5 AOB87171 EX-A946 MK3697 N-[5-(5-Cyano-2-thienyl)-2-methylphenyl]-4-methylbenzenesulfonamide BDBM106971 HY-12301 N-((5,6-dimethoxypyridin-2-yl)methyl)-5'-methyl-5-(thiazol-2-yl)-[2,3'-bipyridine]-4-carboxamide SCHEMBL2250597 [ Show all ]
Inchi Key	VSOUDUXMPUHJEU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
PubChem CID	46190695
ChEMBL	CHEMBL3338865
IUPHAR	9307
BindingDB	106971
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	16.0 nM	PMID25248679	BindingDB,ChEMBL
Ki	0.95 nM	, None	BindingDB,ChEMBL
Ki	1.1 nM	PMID25248679	IUPHAR
Ki	1.1 nM	PMID25248679	BindingDB,ChEMBL

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