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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	haloperidol
Molecular formula	C21H23ClFNO2
IUPAC name	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight	375.868
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	HMS3370H11 NSC 615296 IDI1_000654 Oprea1_509923 KBio2_003909 Picroside-III KBioSS_001341 Probes1_000255 LNEPOXFFQSENCJ-UHFFFAOYSA- MCULE-3693790133 Haloperido N1910 Haloperidol for system suitability, European Pharmacopoeia (EP) Reference Standard NCGC00015500-08 Haloperidol, Pharmaceutical Secondary Standard; Certified Reference Material NCGC00015500-16 Halosten (TN) NCGC00023875-07 CCG-39111 4763-EP2275420A1 SR-01000003076-11 D0D1AL 4763-EP2298731A1 Tox21_110162_1 DSSTox_GSID_34150 4763-EP2311837A1 VU0239704-10 EU-0100583 AB00052008-21 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorbutyrophenone AC250 Haldol Solutab Aloperidolo [DCIT] .gamma.-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone BG0211 4'-Fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone BRD-K67783091-001-05-5 4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one;propionate(HCl) Serenase (TN) Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro- 4-[4-(4-chlorophenyl)-4-hydroxypiperidyl]-1-(4-fluorophenyl)butan-1-one SPBio_002069 NCGC00254503-01 HMS502A16 NSC-757054 J6292F8L3D Peluces (TN) KBio2_007526 Prestwick0_000115 Keselan (TN) R 1625 Lopac0_000583 Mixidol Haloperidol (JP15/USP) NCGC00015500-03 Haloperidol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material NCGC00015500-11 Haloperidolum NCGC00016234-01 HMS2089M15 Spectrum3_000448 4763-EP2292614A1 ST50319916 DivK1c_000654 4763-EP2308867A2 TR-018722 Duraperidol 52-86-8 WLN: T6NTJ A3VR DF& DQ DR DG Fortunan AB00052008_24 GTPL86 Aldo AN-41634 1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)- Bioperidolo 4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone SC-81035 Brotopon 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone Sernel C01814 4763-EP2269989A1 HMS2234P08 Novo-Peridol I14-13404 NSC757054 KBio2_001341 Pharmakon1600-01500325 KBioGR_000980 Prestwick3_000115 Linton S1920 McM-JR-1625 Halol MolPort-000-883-311 Haloperidol 1.0 mg/ml in Methanol NCGC00015500-06 Haloperidol, 1 NCGC00015500-14 Halopoidol NCGC00023875-05 4763-EP2272972A1 Spectrum_000861 CS-1971 4763-EP2295413A1 Tocris-0931 Dozix 4763-EP2311803A1 UNII-J6292F8L3D Einalon S (TN) A0H334 Galoperidol AC1L1G7K Haldol (TN) Aloperidol Apo-Haloperidol BPBio1_001231 4-(4-(para-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone Serenace (TN) BSPBio_002096 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMR000058303 CC-16450 HMS3657I13 NSC-170973 IN1474 Pekuces KBio2_004958 Pms Haloperidol KBioSS_002395 Probes2_000296 LNEPOXFFQSENCJ-UHFFFAOYSA-N MDMO-PPV NCGC00015500-01 Haloperidol Intensol NCGC00015500-09 Haloperidol, powder NCGC00015500-17 HMS1568G12 NCGC00023875-08 CCRIS 1630 4763-EP2277872A1 SR-01000003076-2 4763-EP2298776A1 Tox21_300475 DSSTox_RID_79117 4763-EP2316834A1 W-105791 Eukystol AB00052008-22 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorobutyrophenone ACM1189986591 Halidol Aloperidolo [Italian] .gamma.-[4-(p-Chlorphenyl)-4-hydroxpiperidino]-p-fluorbutyrophenone BIDD:GT0128 4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone BRD-K67783091-003-03-6 4-[4-(4-Chlorophenyl)-4-hydroxy- 1-piperidinyl]-1-(4-fluorophenyl)- 1-butanone Serenelfi Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro- 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone SPECTRUM1500325 NCGC00261268-01 HSDB 3093 NSC170973 KB-79571 Peridol KBio3_001316 Prestwick1_000115 L000288 R-1625 LP00583 MLS000028450 Haloperidol (JP15/USP/INN) NCGC00015500-04 Haloperidol [USAN:INN:BAN:JAN] NCGC00015500-12 Haloperidolum [INN-Latin] NCGC00023875-02 HMS2091J09 4763-EP2269990A1 Spectrum4_000570 CHEMBL54 4763-EP2295061A1 STL417208 Dozic 4763-EP2308870A2 Ulcolind Duraperidol (TN) 61788-97-4 ZINC537822 FT-0669100 AB2000375 H 1512 Aloperidin AOB5645 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)- Bioperidolo (TN) 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one SCHEMBL8264 Brotopon (TN) 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one Sigaperidol C21H23ClFNO2 HMS3261F08 NSC 170973 I14-14165 Opera_ID_446 KBio2_002390 Phenolic epoxy resin KBioGR_002390 Prestwick_250 Linton (TN) SBI-0050565.P004 McN-JR-1625 Halopal MRF-0000027 Haloperidol for peak identification, European Pharmacopoeia (EP) Reference Standard NCGC00015500-07 Haloperidol, European Pharmacopoeia (EP) Reference Standard NCGC00015500-15 Halosten NCGC00023875-06 4763-EP2272973A1 SR-01000003076 D00136 4763-EP2295439A1 Tox21_110162 DSSTox_CID_14150 4763-EP2311824A1 Vesalium EINECS 200-155-6 AB00052008 gamma-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone AC1Q77Z0 Haldol La Aloperidolo BDBM21398 4'-Fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone BRD-K67783091-001-04-8 4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone Serenase Butyrophenone, 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidino)- 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone SPBio_001236 CCG-36042 NCGC00023875-09 HMS3712G12 NSC-615296 InChI=1/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 Peluces KBio2_006477 Poly[2-methoxy-5-(3,7-dimethyoctyoxyl)-1,4-phenylenevinylene] Keselan QTL1_000042 Lopac-H-1512 MFCD00051423 Haloperidol (Haldol) NCGC00015500-02 Haloperidol lactate NCGC00015500-10 Haloperidol, United States Pharmacopeia (USP) Reference Standard NCGC00015500-19 HMS1920D03 CHEBI:5613 4763-EP2277876A1 SR-01000003076-8 DB00502 4763-EP2305260A1 Tox21_500583 DTXSID4034150 5-21-02-00377 (Beilstein Handbook Reference) W0039 Eukystol (TN) AB00052008_23 gamma-[4-(p-chlorophenyl)-4-hydroxypiperidino]-p-fluorobutyrophenone AKOS000280660 Aloperidon 1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine Biomol-NT_000035 4'-Fluoro-4-[4-hydroxy-4-(4'-chlorophenyl)piperidino]butyrophenone SC 170973 BRN 0331267 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl) -1-butanone Sernas C-35402 4-[4-(para-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone Spectrum2_001268 NINDS_000654 HY-14538 NSC615296 KBio1_000654 Pernox KBio3_002869 Prestwick2_000115 Lealgin compositum Resin epoxy LS-48311 Halojust MLS001146904 Haloperidol (JP17/USP/INN) NCGC00015500-05 Haloperidol [USAN:USP:INN:BAN:JAN] NCGC00015500-13 Halopidol NCGC00023875-04 HMS2095G12 4763-EP2272537A2 Spectrum5_000788 cMAP_000037 4763-EP2295412A1 SW196557-4 Dozic (TN) 4763-EP2311801A1 Uliolind Einalon S FT-0697842 AC-19691 Haldol Aloperidin (TN) API0002885 177716-59-5 BPBio1_000144 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone Serenace BSPBio_000130 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one Sigaperidol (TN) CAS-52-86-8 [ Show all ]
Inchi Key	LNEPOXFFQSENCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PubChem CID	3559
ChEMBL	CHEMBL54
IUPHAR	86
BindingDB	21398
DrugBank	DB00502
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1500.0 nM	PMID9622542	BindingDB,ChEMBL
Ki	1202.0 nM	PMID12629531, http://pdsp.med.unc.edu/pdsp.php	PDSP,BindingDB
Ki	1500.0 nM	PMID8935801, PMID7520908	PDSP,BindingDB
Ki	1584.89 - 1995.26 nM	PMID9760039, PMID9067310, PMID8935801, PMID9732398	IUPHAR
Ki	1800.0 nM	PMID11132243	PDSP,BindingDB
Ki	1913.0 nM	PMID9067310	PDSP,BindingDB
Ki	2800.0 nM	Wander et al., PMID1987, PMID11527728	PDSP,BindingDB,ChEMBL
Ki	3500.0 nM	PMID16051647	PDSP
Ki	3600.0 nM	PMID18595716, PMID25070422	PDSP,BindingDB,ChEMBL
Ki	5084.0 nM	PMID9686407	PDSP,BindingDB

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