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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	CP 93129
Molecular formula	C12H13N3O
IUPAC name	3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
Molecular weight	215.256
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	-0.1
Synonyms	5H-Pyrrolo(3,2-b)pyridin-5-one, 1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)- GTPL11 Tocris-1032 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydro-5H-pyrrolo[3,2-b]pyridin-5-one AC1L3XQ4 CP-93,129 NCGC00024952-01 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo(3,2-b)pyrid-5-one CAS_127792-75-0 D00FHZ SCHEMBL781544 127792-75-0 879089-64-2 CHEMBL304008 L000200 ZINC4439 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[2,3-e]pyridin-5-one BDBM84737 CP-93129 PDSP1_000796 1,4-Dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrolo[3,2-b]pyridin-5-one Hydrochloride Hydrate 5-hydroxy-3(4-1,2,5,6-tetrahydropyridyl)-4-azaindole CHEBI:93436 DTXSID50155670 SCHEMBL9696192 3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1,4-dihydro-pyrrolo[3,2-b]pyridin-5-one AB07658 LS-184387 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one BRD-K81876028-300-01-2 CP93129 PDSP2_000784 [ Show all ]
Inchi Key	PJYVGMRFPFNZCT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)
PubChem CID	124007
ChEMBL	CHEMBL304008
IUPHAR	11
BindingDB	N/A
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	794.328 nM	PMID9205951	IUPHAR

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