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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	(E)-Flupenthixol
Molecular formula	C23H25F3N2OS
IUPAC name	2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Molecular weight	434.521
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.5
Synonyms	CHEBI:93235 DTXSID50110027 Flupentiol Lopac-F-114 PDSP2_001527 UNII-895OJP78MJ (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol 2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol 53772-85-3 AJ-83562 BDBM86722 cis(Z)Flupenthixol Fluanxol (TN) Flupentixol [INN:DCF] NCGC00015425-02 trans(E)Flupenthixol (Z)-2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol 2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol CAS_53772-82-0 Depixol Flupenthixol, Beta GTPL968 PDSP1_001543 trans-Flupentixol (cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol(Flupentixol) 1-Piperazineethanol, 4-[(3E)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]- 2709-56-0 ACM2709560 E-Flupentixol Flupentixol LS-112583 SCHEMBL145726 ZINC28643021 2-Trifluoromethyl-9-(3-(4-(beta-hydroxyethyl)-1-piperazinyl)propylidene)thioxanthene 709F560 AKOS003588967 beta-Flupenthixol D0M4RW FLUPENTHIXOL Flupentixol, (E)- NSC_17012 trans-(E)-Flupentixol 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-(9CI) 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol AC1NQZ89 CAS_53772-85-3 Depixol (TN) FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol L000188 PDSP2_001526 UNII-21HMQ851IS component NJMYODHXAKYRHW-BLLMUTORSA-N (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol 2-(4-{3-[2-(trifluoromethyl)-9h-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol ACM51529023 CHEMBL42055 EINECS 258-759-0 Flupentixol (INN) NCGC00015425-01 SCHEMBL414352 (trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol 895OJP78MJ BDBM50026957 CAS-2413-38-9 D0OC3J FLUPENTHIXOL, Alpha FLUPENTIXOLE PDSP1_001542 trans-flupenthixol 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, (E)- 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol AC1Q4JZJ [ Show all ]
Inchi Key	NJMYODHXAKYRHW-BLLMUTORSA-N
Inchi ID	InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
PubChem CID	5281878
ChEMBL	CHEMBL42055
IUPHAR	968
BindingDB	50026957
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	8028.0 nM	PMID9686407	BindingDB

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