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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	CHEMBL135890
Molecular formula	C21H24N2O2S
IUPAC name	2-[4-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol
Molecular weight	368.495
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.7
Synonyms	2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)piperazin-1-yl)phenol SCHEMBL6598942 BDBM50102330 L018473 2-[4-(3-Benzo[b]thiophen-3-yl-3-hydroxy-propyl)-piperazin-1-yl]-phenol 1-(Benzo[b]thiophene-3-yl)-3-[4-(2-hydroxyphenyl)piperazino]-1-propanol LS-192362 [ Show all ]
Inchi Key	ABYMPOVMMYXTTE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
PubChem CID	10619048
ChEMBL	CHEMBL135890
IUPHAR	N/A
BindingDB	50102330
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	18.2 nM	PMID17562349, PMID20133028	BindingDB,ChEMBL

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