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GLASS

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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	SMR000092791
Molecular formula	C21H16BrN3O3
IUPAC name	5-bromo-2-methoxy-3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
Molecular weight	438.281
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.6
Synonyms	5-bromo-2-methoxy-3-methyl-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)benzamide CHEMBL1432550 STK345803 5-bromo-2-methoxy-3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide MCULE-3037704590 AKOS000457830 MolPort-001-630-067 5-bromo-2-methoxy-3-methyl-N-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)benzamide cid_1511511 ZINC1431966 A3777/0160284 MLS000115772 5-bromanyl-2-methoxy-3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide BDBM30936 5-bromo-2-methoxy-3-methyl-N-[3-(2-oxazolo[4,5-b]pyridinyl)phenyl]benzamide HMS2248M19 AC1LTO5A MLS002585745 [ Show all ]
Inchi Key	ABUMZSAITJVKFU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16BrN3O3/c1-12-9-14(22)11-16(18(12)27-2)20(26)24-15-6-3-5-13(10-15)21-25-19-17(28-21)7-4-8-23-19/h3-11H,1-2H3,(H,24,26)
PubChem CID	1511511
ChEMBL	N/A
IUPHAR	N/A
BindingDB	30936
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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