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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	CHEMBL317532
Molecular formula	C26H28FNO4
IUPAC name	6-fluoro-8-[2-[4-(4-methoxynaphthalen-1-yl)butylamino]ethoxy]-2,3-dihydrochromen-4-one
Molecular weight	437.511
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50065574 6-Fluoro-8-{2-[4-(4-methoxy-naphthalen-1-yl)-butylamino]-ethoxy}-chroman-4-one 8-[2-[[4-(4-Methoxy-1-naphthyl)butyl]amino]ethoxy]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
Inchi Key	ADQOQGKIFXKTKW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H28FNO4/c1-30-24-10-9-18(20-7-2-3-8-21(20)24)6-4-5-12-28-13-15-31-25-17-19(27)16-22-23(29)11-14-32-26(22)25/h2-3,7-10,16-17,28H,4-6,11-15H2,1H3
PubChem CID	10670618
ChEMBL	CHEMBL317532
IUPHAR	N/A
BindingDB	50065574
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
FSC recovery	-15.0 %	PMID9667967	ChEMBL

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