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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	SB-649868
Molecular formula	C26H24FN3O3S
IUPAC name	N-[[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
Molecular weight	477.554
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.2
Synonyms	GSK-649868 AKOS027323765 HY-10806 SB649868; GSK649868 1L1V1K2M4V CHEMBL1272307 DTXSID90191491 SB 649868 GSK649868 SB19110 BDBM50417257 N-((1-((5-(4-Fluorophenyl)-2-methyl-4-thiazolyl)carbonyl)-2-piperidinyl)methyl)-4-benzofurancarboxamide SCHEMBL8045969 380899-24-1 CS-7584 EX-A2570 SB-649,868 GTPL4461 SB649868 (S)-N-((1-(5-(4-Fluorophenyl)-2-methylthiazole-4-carbonyl)piperidin-2-yl)methyl)benzofuran-4-carboxamide N-[[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide UNII-1L1V1K2M4V 4-Benzofurancarboxamide, N-(((2S)-1-((5-(4-fluorophenyl)-2-methyl-4-thiazolyl)carbonyl)-2-piperidinyl)methyl)- D06CKX [ Show all ]
Inchi Key	ZJXIUGNEAIHSBI-IBGZPJMESA-N
Inchi ID	InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1
PubChem CID	25195495
ChEMBL	CHEMBL1272307
IUPHAR	4461
BindingDB	50417257
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.398 nM	PMID21831639, PMID20933413	BindingDB
Ki	0.3981 nM	PMID21831639, PMID20933413	ChEMBL
Ki	0.4 nM	PMID23891187	BindingDB
Ki	0.4 nM	PMID23891187	ChEMBL
Ki	1.25 nM	PMID21831639	IUPHAR
Ki	1.288 nM	PMID21831639	ChEMBL
Ki	1.29 nM	PMID21831639	BindingDB
Ki	8.5 nM	PMID25267004	BindingDB,ChEMBL

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