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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Binospirone
Molecular formula	C20H26N2O4
IUPAC name	8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight	358.438
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.3
Synonyms	NCGC00024574-02 AC1L1TVW BRD-A50764878-001-01-4 Rac-8-[2-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione methanesulfonate CHEBI:91740 L002036 SCHEMBL244369 8-[2-[[(2,3-Dihydro-1,4-benzodioxin)-2-yl]methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione Biomol-NT_000113 PDSP1_000562 AC1Q6FAE BRD-A50764878-003-01-0 CHEMBL1487115 Rac-N-[2-[(1,4-Benzodioxan-2-ylmethyl)amino]ethyl]-1,1-cyclopentanediazetimide methanesulfonate 102908-59-8 Binospirone mesylate < Rec INNM MDL 73005 EF BPBio1_000045 PDSP2_000560 BDBM82518 CAS_124756-23-6 D05AAM Rac-N-[4-(1,4-Benzodioxan-2-ylmethylamino)ethyl]-3,3-tetramethyleneglutarimide methanesulfonate 8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione Binospirone [INN] [ Show all ]
Inchi Key	BVMYCHKQPGEOSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
PubChem CID	60769
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82518
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	8.7 nM	PMID7984267	BindingDB

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