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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	MLS000107096
Molecular formula	C19H14N2O4
IUPAC name	[3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-yl] acetate
Molecular weight	334.331
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.8
Synonyms	MolPort-000-423-355 ZINC96549 acetic acid [2-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-yl] ester ChemDiv3_001890 HMS1478F20 SMR000111468 3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-yl acetate BAS 01057747 MCULE-9990311440 ST50038137 AC1LE8SS Oprea1_579838 [3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-chromen-7-yl] ethanoate 3-(1-methyl-1H-benzimidazol-2-yl)-2-oxo-2H-chromen-7-yl acetate acetic acid [3-(1-methyl-2-benzimidazolyl)-2-oxo-1-benzopyran-7-yl] ester cid_708260 HMS2498K07 SR-01000456699 300828-07-3 BDBM30985 STK837661 Acetic acid 3-(1-methyl-1H-benzoimidazol-2-yl)-2-oxo-2H-chromen-7-yl ester CHEMBL1503105 F0308-0845 regid7974724 [3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-yl] acetate 3-(1-Methyl-1H-benzo[d]imidazol-2-yl)-2-oxo-2H-chromen-7-yl acetate AKOS000525760 IDI1_020856 SR-01000456699-1 BRD-K23178290-001-01-9 [ Show all ]
Inchi Key	BTPRCGPGOMONJP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14N2O4/c1-11(22)24-13-8-7-12-9-14(19(23)25-17(12)10-13)18-20-15-5-3-4-6-16(15)21(18)2/h3-10H,1-2H3
PubChem CID	708260
ChEMBL	CHEMBL1503105
IUPHAR	N/A
BindingDB	30985
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	8700.0 nM	N/A	BindingDB

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