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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	MLS000086722
Molecular formula	C17H25N3O2S
IUPAC name	N-[3-[butyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
Molecular weight	335.466
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM31025 MLS001367943 CHEMBL1455021 N-[3-[butyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide AC1MMJ0T MCULE-4997970689 CCG-27233 N-[3-[butyl(methyl)amino]propyl]-2-(2-keto-1,3-benzothiazol-3-yl)acetamide cid_3239520 N-{3-[butyl(methyl)amino]propyl}-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide AKOS001754246 N-[3-[butyl(methyl)amino]propyl]-2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanamide HMS2355N16 SMR000022762 [ Show all ]
Inchi Key	FOVXFYNKMOHPDL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H25N3O2S/c1-3-4-11-19(2)12-7-10-18-16(21)13-20-14-8-5-6-9-15(14)23-17(20)22/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,18,21)
PubChem CID	3239520
ChEMBL	CHEMBL1455021
IUPHAR	N/A
BindingDB	31025
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<50000.0 nM	PubChem BioAssay data set	ChEMBL
EC50	50000.0 nM	N/A	BindingDB

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