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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	AC-42
Molecular formula	C20H31NO
IUPAC name	4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
Molecular weight	301.474
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.2
Synonyms	4-n-Butyl-1-[4-(2-methylphenyl)-4-oxo-1-butyl]piperidine CHEMBL1242950 ZINC2022527 AC42 gamma-(4-Butylpiperidino)-2'-methylbutyrophenone 4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one BDBM50326219 NCGC00485453-01 D00REH AKOS030284249 GTPL289 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one SCHEMBL4504348 D0T2RY 4-(4-butylpiperdin-1-yl)-1-(2-methylphenyl)butan-1-one ANTKBACNWQHQJE-UHFFFAOYSA-N L019209 [ Show all ]
Inchi Key	ANTKBACNWQHQJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
PubChem CID	9948320
ChEMBL	CHEMBL1242950
IUPHAR	289
BindingDB	50326219
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	280.0 nM	PMID20684563	BindingDB,ChEMBL

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