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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	Zalospirone
Molecular formula	C24H29N5O2
IUPAC name	(1R,2R,6S,7S,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Molecular weight	419.529
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.4
Synonyms	Zalospirona AC1Q6F21 ZALOSPIRONE HYDROCHLORIDE 0449O95Z1J GTPL58 WY-47,846 Zalospironum [INN-Latin] Zalospirona [INN-Spanish] (1R,2R,6S,7S,8S,11R)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatetracyclo[5.4.2.0^{2,6}.0^{8,11}]trideca-9,12-diene-3,5-dione CHEMBL3990567 Zalospirone [INN] 3aalpha,4,4aalpha,6aalpha,7,7aalpha-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4beta,7beta-etheno-1H-cyclobut[f]isoindole-1,3(2H)-dione SCHEMBL247563 Wy-47846 AC1L4TVC (3ar,4r,4ar,6as,7s,7as)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-3a,4,4a,6a,7,7a-hexahydro-1h-4,7-ethenocyclobuta[f]isoindole-1,3(2h)-dione D0OP8W UNII-0449O95Z1J Zalospironum 4,7-Etheno-1H-cyclobut(f)isoindole-1,3(2H)-dione, 3a,4,4a,6a,7,7a-hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (3aalpha,4alpha,4abeta,6abeta,7alpha,7aalpha)- [ Show all ]
Inchi Key	AERLHOTUXIJQFV-RCPZPFRWSA-N
Inchi ID	InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2/t16-,17+,18-,19+,20-,21+
PubChem CID	163925
ChEMBL	N/A
IUPHAR	58
BindingDB	N/A
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	7.94328 nM	PMID9760039	IUPHAR

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