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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	MLS000077136
Molecular formula	C12H11N3O6
IUPAC name	(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
Molecular weight	293.235
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	-0.1
Synonyms	(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate 6-(acetylamino)-7-acetyloxybenzo[2,3-c]1,2,5-oxadiazol-4-yl acetate BDBM31042 SR-01000312822-1 acetic acid (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) ester CHEMBL1440703 MolPort-001-923-625 ZINC368832 5-(Acetylamino)-7-(acetyloxy)-2,1,3-benzoxadiazol-4-yl acetate # AKOS000676152 HMS2482I10 SMR000008576 (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) ethanoate AABQOSHDRSWHSN-UHFFFAOYSA-N BRD-K74606075-001-06-7 MLS000077136-02 ST50222775 4,7-diacetoxy-5-acetamidobenzofurazan acetic acid (6-acetamido-7-acetoxy-benzofurazan-4-yl) ester cid_597363 Oprea1_754679 5-Acetamido-4,7-diacetoxybenzofurazan BAS 00318833 MCULE-1440538947 SR-01000312822 153136-25-5 AC1LCA45 MLS002535974 STK838797 5-(acetylamino)-2,1,3-benzoxadiazole-4,7-diyl diacetate Acetic acid 7-acetoxy-5-acetylamino-benzo[1,2,5]oxadiazol-4-yl ester HMS1675E08 Oprea1_857504 [ Show all ]
Inchi Key	AABQOSHDRSWHSN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H11N3O6/c1-5(16)13-8-4-9(19-6(2)17)10-11(15-21-14-10)12(8)20-7(3)18/h4H,1-3H3,(H,13,16)
PubChem CID	597363
ChEMBL	CHEMBL1440703
IUPHAR	N/A
BindingDB	31042
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1782.0 nM	N/A	BindingDB

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