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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	naratriptan
Molecular formula	C17H25N3O2S
IUPAC name	N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
Molecular weight	335.466
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.0
Synonyms	AX8017803 CHEMBL1278 FC0032 N-methyl-2-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)ethane-1-sulfonamide Naramig (TN) NCGC00181786-04 AJ-08192 BDBM50073682 D08255 HY-B0197 N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]ethanesulfonamide Naratriptan [INN:BAN] SC-00604 AB01565792_02 Amerge, Naramig,Naratriptan AN-11431 CHEBI:7478 DB00952 LS-83062 N-Methyl-3-(1-methyl-4 -piperidinyl)-1H-indole-5-ethansulphonamide NCGC00181786-01 ZINC4076 2-[3-(1-Methyl-piperidin-4-yl)-1H-indol-5-yl]-ethanesulfonic acid methylamide AC-5013 BC201774 Colatan FT-0656760 N-Methyl-2-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)ethanesulfonamide PubChem2191 AKOS015895854 Amerge;Naramig BIDD:GT0312 D0T3KI InChI=1/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethane-1-sulfonamide naratriptan; SCHEMBL68753 121679-13-8 AB2000122 API0005359 DTXSID7023354 N-methyl-2-(3-(1-methylpiperiden-4-yl)indole-5-yl)ethanesulfonamide N-Methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulphonamide NCGC00181786-03 2578AH AC1L1I6A BCP9000978 CS-2131 GTPL45 N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide Naratriptan (INN) QX3KXL1ZA2 A25336 Amerge (TN) AMKVXSZCKVJAGH-UHFFFAOYSA-N C07792 L000432 N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide naratriptanum UNII-QX3KXL1ZA2 1H-Indole-5-ethanesulfonamide, N-methyl-3-(1-methyl-4-piperidinyl)- ABP000374 [ Show all ]
Inchi Key	AMKVXSZCKVJAGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
PubChem CID	4440
ChEMBL	CHEMBL1278
IUPHAR	45
BindingDB	50073682
DrugBank	DB00952
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	3.3 nM	PMID9986723	BindingDB,ChEMBL
Ki	5.1 nM	PMID9303569	PDSP,BindingDB
Ki	7.94328 nM	PMID10193663	IUPHAR
Ki	9.4 nM	PMID9303569	PDSP,BindingDB

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