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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	CHEMBL328107
Molecular formula	C17H21NO
IUPAC name	(12R,16S)-13-propyl-3-oxa-13-azatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),4,7-tetraene
Molecular weight	255.361
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.9
Synonyms	BDBM50290663 (7aR,10aS)-8-Propyl-7,7a,8,9,10,10a-hexahydro-6H-1-oxa-8-aza-dicyclopenta[a,h]naphthalene
Inchi Key	ASNREPVWGRJPSG-HUUCEWRRSA-N
Inchi ID	InChI=1S/C17H21NO/c1-2-9-18-10-7-14-15(18)6-5-12-3-4-13-8-11-19-17(13)16(12)14/h3-4,8,11,14-15H,2,5-7,9-10H2,1H3/t14-,15-/m1/s1
PubChem CID	44326324
ChEMBL	CHEMBL328107
IUPHAR	N/A
BindingDB	50290663
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	3.9 nM	, Bioorg. Med. Chem. Lett., (1997) 7:21:2759	BindingDB,ChEMBL

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