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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	ABT-724
Molecular formula	C17H19N5
IUPAC name	2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
Molecular weight	293.374
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.2
Synonyms	KSC-15-042 SR-01000050272-1 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole 474417-17-9 AKOS015994554 ES-0001 MLS001233669 ZINC25427051 1H-Benzimidazole, 2-((4-(2-pyridinyl)-1-piperazinyl)methyl)- 70006-24-5 BRD-K37714784-305-01-3 HMS2888K18 SMR000592214 2-((4-Pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole 2-[4-(2-Pyridyl)piperazin-1-ylmethyl]-1H-benzimidazole maleate ABT724 CHEMBL440687 KUC105568N UNII-4WV2575JWT 4WV2575JWT BDBM50145075 FRPJGTNLZNXQEX-UHFFFAOYSA-N MolPort-001-728-583 1H-Benzimidazole, 2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]- ABT 724 CHEBI:104134 KS-00002WSL SR-01000050272 2-(4-Pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole 2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-1,3-benzodiazole AC1NMGX9 D03TNA MCULE-3633641507 Z55621861 BEN800 FT-0737091 SCHEMBL1448486 2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1H-benzo[d]imidazole [ Show all ]
Inchi Key	FRPJGTNLZNXQEX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
PubChem CID	5025739
ChEMBL	CHEMBL440687
IUPHAR	N/A
BindingDB	50145075
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	<10000.0 nM	PMID15239663	BindingDB,ChEMBL
Ki	2780000.0 nM	PMID15239663	BindingDB,ChEMBL

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