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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	MLS000086795
Molecular formula	C24H28ClN5O4
IUPAC name	N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
Molecular weight	485.969
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide EU-0089709 N-[2-[4-(3-chlorophenyl)piperazino]ethyl]-2,4-diketo-3-(2-methoxyethyl)-1H-quinazoline-7-carboxamide AC1MMAM9 MCULE-5395609344 MolPort-007-594-512 ZINC4005055 CHEMBL1417144 N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxamide F6548-1185 N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide AKOS001758824 N-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide cid_3235755 N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide 892289-88-2 HMS2362I05 MLS001065472 SMR000022823 BDBM30840 [ Show all ]
Inchi Key	ACVZMBHNSYAYKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28ClN5O4/c1-34-14-13-30-23(32)20-6-5-17(15-21(20)27-24(30)33)22(31)26-7-8-28-9-11-29(12-10-28)19-4-2-3-18(25)16-19/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,27,33)
PubChem CID	3235755
ChEMBL	N/A
IUPHAR	N/A
BindingDB	30840
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	99000.0 nM	N/A	BindingDB

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