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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	spiperone
Molecular formula	C23H26FN3O2
IUPAC name	8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	395.478
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.0
Synonyms	Spiropitan (TN) UNII-4X6E73CJ0Q IDI1_000566 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl- L000569 36693-EP2311801A1 MolPort-003-666-371 8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane NCGC00015964-08 NCGC00022260-02 BN0500 NSC-757864 C23H26FN3O2 Prestwick3_000288 D04TIH SCHEMBL116031 E 525 Spectrum5_000987 HMS1921L09 SR-01000000261-8 [3H]-spiperone KBio2_004191 1,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl- LS-154780 36693-EP2371814A1 NCGC00015964-03 8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-11 AB00052224_16 NCGC00022260-06 BRD-K55468218-003-01-0 Opera_ID_1551 CHEBI:9233 R 5147, Spiroperidol DKGZKTPJOSAWFA-UHFFFAOYSA-N SPBio_002415 Espiperona [INN-Spanish] Spiperone (JAN/USAN) HMS2095J18 Spiroperone Tox21_110269 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorobenzoyl)propyl)-1-phenyl- KBioGR_000862 MLS000028615 749-02-0 NCGC00015964-06 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-17 API0004229 NSC 170983 BSPBio_002959 Prestwick1_000288 cid_5265 REGID_for_CID_5265 DSSTox_RID_80749 Spectrum3_001460 GTPL99 Spiperonum HMS3712J18 SR-01000000261 WLN: T6N DXTJ A3VR DF& D-& CT5MVXN EHJ DR KBio1_000566 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl- Lopac-S-7395 36693-EP2311802A1 NCGC00015964-01 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-09 AB00052224 NCGC00022260-04 BPBio1_000216 NSC170983 CAS-749-02-0 Prestwick_624 D05EQG SMR000058674 EINECS 212-024-0 Spectrum_001143 HMS2089E16 Spiroperidol ST059306 [3H]-Spiroperidol KBio2_006759 1-(4-Fluorophenyl)-4-(4-hydroxy-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-8-yl)-1-butanone # MCULE-7534168791 4-Phenyl-8-[3-(4-fluorobenzoyl)propyl]-1-oxo-2,4,8-triazaspiro[4,5]decane NCGC00015964-04 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one NCGC00015964-12 AC1L1JYU NCGC00022260-07 BRN 0632204 Pharmakon1600-01501152 R-5147 DSSTox_CID_25205 SPECTRUM1501152 FT-0674639 Spiperone [USAN:INN:BAN:JAN] HMS2235E11 Spiropitan Tox21_110269_1 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl- KBioSS_001623 36693-EP2272537A2 MLS001076321 8-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one NCGC00015964-07 8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one NCGC00016536-01 BDBM21397 NSC-170983 Butyrophenone, 4'-fluoro-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decan-8-yl)- Prestwick2_000288 D01051 SBI-0051039.P003 DTXSID5045205 Spectrum4_000451 HMS1568J18 Spiperonum [INN-Latin] HMS501M08 SR-01000000261-5 ZINC643233 KBio2_001623 1,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl- Lopac0_001069 36693-EP2311803A1 NCGC00015964-02 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,8-triazaspiro[4.5]decan-4-one NCGC00015964-10 AB00052224-15 NCGC00022260-05 BRD-K55468218-001-05-5 NSC757864 CCG-38975 R 5147 DivK1c_000566 SPBio_001532 Espiperona HMS2092H17 Spiroperidone Tocris-0995 [3H]spiperone KBio3_002459 MFCD00055099 4X6E73CJ0Q NCGC00015964-05 8-[4-(4-fluorophenyl)-4-oxo-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one NCGC00015964-13 AKOS024282958 NINDS_000566 BSPBio_000196 Prestwick0_000288 CHEMBL267930 regid855701 DSSTox_GSID_45205 Spectrum2_001426 GTPL3300 Spiperone, solid HMS3371L01 [ Show all ]
Inchi Key	DKGZKTPJOSAWFA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
PubChem CID	5265
ChEMBL	CHEMBL267930
IUPHAR	99, 3300
BindingDB	21397
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	39.81 nM	PMID19754201	ChEMBL
Ki	1.58489 - 199.526 nM	PMID1386736, PMID9760039, PMID9550290	IUPHAR
Ki	17.0 nM	PMID27364609	BindingDB
Ki	17.2 nM	PMID8461029, PMID27364609	PDSP,BindingDB,ChEMBL
Ki	17.37 nM	PMID7984267	PDSP,BindingDB
Ki	33.11 nM	PMID15951403	BindingDB
Ki	33.1131 nM	PMID15951403	PDSP
Ki	60.0 nM	PMID2078271	BindingDB
Ki	61.0 nM	PMID9686407	PDSP,BindingDB
Ki	63.09 nM	PMID7984267	PDSP,BindingDB
Ki	100.92 nM	Hoyer et al., PMID1986	PDSP
Ki	130.76 nM	Hoyer et al., PMID1986	PDSP
Ki	158.48 nM	PMID7984267	PDSP,BindingDB
Ki	208.92 nM	PMID7984267	PDSP,BindingDB
Ki	320.0 nM	Wander et al., PMID1987	PDSP
Ki	411.0 nM	PMID8461029	PDSP,BindingDB
Ki	426.57 nM	PMID7984267	PDSP,BindingDB

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