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GLASS

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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	CHEMBL198993
Molecular formula	C21H27FN4O2
IUPAC name	6-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide
Molecular weight	386.471
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.9
Synonyms	6-fluoro-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)nicotinamide 6-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-nicotinamide BDBM50172861
Inchi Key	DOVTZHSQYCZIIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27FN4O2/c1-28-19-7-3-2-6-18(19)26-14-12-25(13-15-26)11-5-4-10-23-21(27)17-8-9-20(22)24-16-17/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,23,27)
PubChem CID	44403214
ChEMBL	CHEMBL198993
IUPHAR	N/A
BindingDB	50172861
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	22.0 nM	PMID16139501	BindingDB,ChEMBL

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