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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	Lesopitron
Molecular formula	C15H21ClN6
IUPAC name	2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
Molecular weight	320.825
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.8
Synonyms	PDSP2_000055 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine CAS_132449-46-8 Lesopitran Lesopitron dihydrochloride < Rec INNM > ZINC1547604 NSC_60813 132449-46-8 AHCPKWJUALHOPH-UHFFFAOYSA-N H1CGM4755H SCHEMBL246589 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine dihydrochloride CHEMBL2105051 Lesopitran) Lesopitron [INN] AC1L1TZ2 DB04970 PDSP1_000055 2-(4-(4-(4-Chloropyrazol-1-yl)butyl)-1-piperazinyl)pyrimidine BDBM82365 L001393 UNII-H1CGM4755H 2-{4- [4- (4-chloro-1-pyrazolyl)-butyl]-1-piperazinyl}pyrimidine D0G5TU lesopitron[inn] AC1Q3PNJ DTXSID40157587 [ Show all ]
Inchi Key	AHCPKWJUALHOPH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2
PubChem CID	60813
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82365
DrugBank	DB04970
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	50.0 nM	PMID2078271	BindingDB

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