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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	Bmy-7378
Molecular formula	C22H31N3O3
IUPAC name	8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight	385.508
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.8
Synonyms	D00KZF NCGC00015126-02 NCGC00024935-03 8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-azaspiro[4.5]decane-7,9-dione AC1L1DMT Lopac-B-134 NCGC00015126-05 Tocris-1006 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione AKOS030559908 CCG-204301 CHEMBL13647 LS-187518 NCGC00024935-01 8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione(BMY-7378) BCPP000322 GTPL9 NCGC00015126-03 SB19517 8-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl)-8-azaspiro[4.5]decane-7,9-dione AC1Q6FAD BMY7378 CHEBI:92539 Lopac0_000206 NCGC00015126-06 UNII-08EI0K81OL 08EI0K81OL 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione AYYCFGDXLUPJAQ-UHFFFAOYSA-N CTK4E5879 NCGC00015126-01 NCGC00024935-02 8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione BDBM50026917 L000137 NCGC00015126-04 SCHEMBL6017145 8-Azaspiro(4.5)decane-7,9-dione, 8-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)- AJ-112154 BRD-K31054881-300-01-3 LS-186862 NCGC00015126-08 ZINC53064442 21102-94-3 8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione BCP9000439 [ Show all ]
Inchi Key	AYYCFGDXLUPJAQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
PubChem CID	2419
ChEMBL	CHEMBL13647
IUPHAR	9
BindingDB	50026917
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
%max	26.0 -	PMID18817363	ChEMBL
Activity	0.3 -	PMID15055991	ChEMBL
Emax	26.0 %	PMID23252794, PMID22145629, PMID27689727, PMID20185311	ChEMBL
Emax	26.0 -	PMID15686938	ChEMBL
Emax	100.0 %	PMID20605276	ChEMBL
IC50	10.0 - 158.489 nM	PMID9048968	IUPHAR
Ki	0.37 nM	PMID23252794	BindingDB
Ki	0.3715 nM	PMID18817363, PMID11931617, PMID23252794	ChEMBL
Ki	0.372 nM	PMID18817363	BindingDB
Ki	0.46 nM	PMID15828846	BindingDB,ChEMBL
Ki	0.8 nM	PMID15055991	BindingDB,ChEMBL
Ki	0.9333 nM	PMID10514291	ChEMBL
Ki	1.259 nM	PMID20605276, PMID20185311, PMID15686938, PMID27689727, PMID22145629	ChEMBL
Ki	1.26 nM	PMID20605276, PMID22145629, PMID20185311	BindingDB
Ki	1.3 nM	PMID27689727	BindingDB
Ki	1.7 nM	PMID9871765	BindingDB
Ki	1.738 nM	PMID9822553	ChEMBL
Ki ratio	8.9 -	PMID7562940	ChEMBL
Max	26.0 %	PMID10514291	ChEMBL
pD2	7.83 -	PMID20605276	ChEMBL
pD2	9.27 -	PMID18817363, PMID15686938, PMID10514291, PMID22145629, PMID20185311, PMID23252794, PMID27689727	ChEMBL
Ratio	1.0 -	PMID15055991	ChEMBL