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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-269970
Molecular formula	C18H28N2O3S
IUPAC name	3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
Molecular weight	352.493
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	NCGC00025229-03 SB269970 (R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol 3-{(R)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AC1O7H0E CCG-205136 FT-0771258 SB 269970 Tocris-1612 (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol 3-{2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol (SB-269970) AKOS024465019 CHEMBL282199 HY-15370 SB-269970-A 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol BDBM50098551 D0YP7L NCGC00025229-01 Pyrrolidine, 1-((3-hydroxyphenyl)sulfonyl)-2-(2-(4-methyl-1-piperidinyl)ethyl)-, (R)- SCHEMBL375474 (r)-3-(2-(2-(4-methylpiperidin-1-yl)-ethyl)pyrrolidine-1-sulfonyl)phenol 3-{(S)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AJ-47584 CHEBI:92426 GTPL3233 SB-269,970 ZINC3982174 201038-74-6 AX8294918 CS-1645 KB-80497 NCGC00025229-02 SB19510 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol AB0048092 BRD-K24201553-003-02-4 Pyrrolidine,1-((3-hydroxyphenyl)sulfonyl)-2-(2-(4-Methyl-1-piperidinyl)ethyl)-,(R)- ST24035398 (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidin-1-ylsulfonyl)phenol 3-{2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AK163801 GTPL3247 [3H]SB269970 2921AH BCPP000080 D0IT3X Lopac0_001059 [ Show all ]
Inchi Key	HWKROQUZSKPIKQ-MRXNPFEDSA-N
Inchi ID	InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
PubChem CID	6604889
ChEMBL	CHEMBL282199
IUPHAR	3233, 3247
BindingDB	50098551
DrugBank	DB13988
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<5000.0 nM	PMID22926225	BindingDB,ChEMBL
Ki	<10000.0 nM	PMID25128671, PMID10669560, PMID11311055	BindingDB,ChEMBL
Ki	>5.0 nM	PMID27717652	ChEMBL
Ki	>5.0 nM	PMID27717652	BindingDB
Ki	9024.0 nM	PMID28063784, PMID25759032	BindingDB,ChEMBL
Ki	>10000.0 nM	PMID10669560	ChEMBL

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