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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	CHEMBL80230
Molecular formula	C24H23N3O3
IUPAC name	7-[4-[(4-hydroxy-3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
Molecular weight	401.466
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50103826 7-[4-(6-Hydroxy-3-biphenylylmethyl)piperazino]-2,3-dihydrobenzoxazole-2-one 7-[4-(6-Hydroxy-biphenyl-3-ylmethyl)-piperazin-1-yl]-3H-benzooxazol-2-one
Inchi Key	AIPVMDNBQLPSHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N3O3/c28-22-10-9-17(15-19(22)18-5-2-1-3-6-18)16-26-11-13-27(14-12-26)21-8-4-7-20-23(21)30-24(29)25-20/h1-10,15,28H,11-14,16H2,(H,25,29)
PubChem CID	44315406
ChEMBL	CHEMBL80230
IUPHAR	N/A
BindingDB	50103826
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	7.6 nM	PMID11527728	BindingDB,ChEMBL

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