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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SB-258719
Molecular formula	C18H30N2O2S
IUPAC name	N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
Molecular weight	338.51
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	3,N-Dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl)-propyl]-benzenesulfonamide CHEMBL12264 GTPL281 SCHEMBL2471088 Benzenesulfonamide, N,3-dimethyl-N-(1-methyl-3-(4-methyl-1-piperidinyl)propyl)-, (R)- SB 258719 3,N-Dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl)-propyl]-benzenesulfonamide (SB-258719) CS-0035396 SB-258719, >=98% (HPLC) AC1NSM3U HY-U00443 ZINC7275 (r)-3,n-dimethyl-n-[1-methyl-3-(4-methylpiperidin-1-yl)propyl]benzene sulfonamide 3,N-Dimethyl-N-[(R)-1-methyl-3-(4-methyl-piperidin-1-yl)-propyl]-benzenesulfonamide SB-258,719 4-Methyl-1-[(R)-3-methyl-4-(toluene-3-sulfonyl)-pentyl]-piperidine D0H9QG SB258719 195199-95-2 BDBM50098550 N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide [ Show all ]
Inchi Key	AGVNHDNTFYHZNL-QGZVFWFLSA-N
Inchi ID	InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
PubChem CID	5312148
ChEMBL	CHEMBL12264
IUPHAR	281
BindingDB	50098550
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	<7943.0 nM	PMID11311055	BindingDB
Ki	<7943.0 nM	PMID11311055	ChEMBL
Ki	>7943.28 nM	PMID9513592	ChEMBL

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