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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 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

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	25.1189 - 79.4328 nM	PMID9205951, PMID10193663	IUPHAR
Ki	45.0 nM	PMID9986723	BindingDB,ChEMBL

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