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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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	SR-01000003076-8 Tox21_500583 W0039 SC 170973 Sernas Spectrum2_001268 CCG-39111 NCGC00015500-11 4763-EP2275420A1 Haloperidolum D0D1AL NCGC00016234-01 4763-EP2298731A1 HMS2089M15 DSSTox_GSID_34150 NCGC00254503-01 4763-EP2311837A1 HMS502A16 EU-0100583 NSC-757054 AB00052008-21 J6292F8L3D gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorbutyrophenone Peluces (TN) AC250 KBio2_007526 Haldol Solutab Prestwick0_000115 Aloperidolo [DCIT] Keselan (TN) .gamma.-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone R 1625 BG0211 Lopac0_000583 4'-Fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone BRD-K67783091-001-05-5 Mixidol 4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one;propionate(HCl) Haloperidol (JP15/USP) Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro- NCGC00015500-03 4-[4-(4-chlorophenyl)-4-hydroxypiperidyl]-1-(4-fluorophenyl)butan-1-one Haloperidol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material SW196557-4 Uliolind Serenace Sigaperidol (TN) Spectrum5_000788 Haloperidol, 1 NCGC00015500-14 4763-EP2292614A1 Halopoidol DivK1c_000654 NCGC00023875-05 4763-EP2308867A2 HMS2234P08 Duraperidol Novo-Peridol 52-86-8 I14-13404 Fortunan NSC757054 AB00052008_24 KBio2_001341 GTPL86 Pharmakon1600-01500325 Aldo KBioGR_000980 Prestwick3_000115 AN-41634 Linton 1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)- S1920 Bioperidolo McM-JR-1625 4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone Halol Brotopon MolPort-000-883-311 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone Haloperidol 1.0 mg/ml in Methanol C01814 NCGC00015500-06 4763-EP2269989A1 SR-01000003076-11 Tox21_110162_1 VU0239704-10 Serenase (TN) SPBio_002069 NCGC00015500-09 4763-EP2272972A1 Haloperidol, powder CS-1971 NCGC00015500-17 4763-EP2295413A1 HMS1568G12 Dozix NCGC00023875-08 4763-EP2311803A1 HMS3657I13 Einalon S (TN) NSC-170973 A0H334 IN1474 Galoperidol Pekuces AC1L1G7K KBio2_004958 Haldol (TN) Pms Haloperidol Aloperidol KBioSS_002395 Probes2_000296 Apo-Haloperidol LNEPOXFFQSENCJ-UHFFFAOYSA-N BPBio1_001231 MDMO-PPV 4-(4-(para-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone BSPBio_002096 NCGC00015500-01 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one Haloperidol Intensol CC-16450 ST50319916 TR-018722 WLN: T6NTJ A3VR DF& DQ DR DG SC-81035 Sernel Spectrum3_000448 Haloperidol [USAN:INN:BAN:JAN] CCRIS 1630 NCGC00015500-12 4763-EP2277872A1 Haloperidolum [INN-Latin] NCGC00023875-02 4763-EP2298776A1 HMS2091J09 DSSTox_RID_79117 NCGC00261268-01 4763-EP2316834A1 HSDB 3093 Eukystol NSC170973 AB00052008-22 KB-79571 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorobutyrophenone Peridol ACM1189986591 KBio3_001316 Halidol Prestwick1_000115 Aloperidolo [Italian] L000288 .gamma.-[4-(p-Chlorphenyl)-4-hydroxpiperidino]-p-fluorbutyrophenone R-1625 BIDD:GT0128 LP00583 4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone BRD-K67783091-003-03-6 MLS000028450 4-[4-(4-Chlorophenyl)-4-hydroxy- 1-piperidinyl]-1-(4-fluorophenyl)- 1-butanone Haloperidol (JP15/USP/INN) Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro- NCGC00015500-04 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone Spectrum_000861 Tocris-0931 UNII-J6292F8L3D Serenace (TN) SMR000058303 4763-EP2269990A1 Haloperidol, European Pharmacopoeia (EP) Reference Standard CHEMBL54 NCGC00015500-15 4763-EP2295061A1 Halosten Dozic NCGC00023875-06 4763-EP2308870A2 HMS3261F08 Duraperidol (TN) NSC 170973 61788-97-4 I14-14165 FT-0669100 Opera_ID_446 AB2000375 KBio2_002390 H 1512 Phenolic epoxy resin Aloperidin KBioGR_002390 Prestwick_250 AOB5645 Linton (TN) 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)- SBI-0050565.P004 Bioperidolo (TN) McN-JR-1625 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one Halopal Brotopon (TN) MRF-0000027 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one Haloperidol for peak identification, European Pharmacopoeia (EP) Reference Standard C21H23ClFNO2 NCGC00015500-07 SR-01000003076-2 Tox21_300475 W-105791 Serenelfi SPECTRUM1500325 NCGC00015500-10 4763-EP2272973A1 Haloperidol, United States Pharmacopeia (USP) Reference Standard D00136 NCGC00015500-19 4763-EP2295439A1 HMS1920D03 DSSTox_CID_14150 NCGC00023875-09 4763-EP2311824A1 HMS3712G12 EINECS 200-155-6 NSC-615296 AB00052008 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 gamma-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone Peluces AC1Q77Z0 KBio2_006477 Haldol La Poly[2-methoxy-5-(3,7-dimethyoctyoxyl)-1,4-phenylenevinylene] Aloperidolo Keselan QTL1_000042 BDBM21398 Lopac-H-1512 4'-Fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone BRD-K67783091-001-04-8 MFCD00051423 4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone Haloperidol (Haldol) Butyrophenone, 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidino)- NCGC00015500-02 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone Haloperidol lactate CCG-36042 STL417208 Ulcolind ZINC537822 SCHEMBL8264 Sigaperidol Spectrum4_000570 Haloperidol [USAN:USP:INN:BAN:JAN] CHEBI:5613 NCGC00015500-13 4763-EP2277876A1 Halopidol DB00502 NCGC00023875-04 4763-EP2305260A1 HMS2095G12 DTXSID4034150 NINDS_000654 5-21-02-00377 (Beilstein Handbook Reference) HY-14538 Eukystol (TN) NSC615296 AB00052008_23 KBio1_000654 gamma-[4-(p-chlorophenyl)-4-hydroxypiperidino]-p-fluorobutyrophenone Pernox AKOS000280660 KBio3_002869 Prestwick2_000115 Aloperidon Lealgin compositum 1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine Resin epoxy Biomol-NT_000035 LS-48311 4'-Fluoro-4-[4-hydroxy-4-(4'-chlorophenyl)piperidino]butyrophenone Halojust BRN 0331267 MLS001146904 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl) -1-butanone Haloperidol (JP17/USP/INN) C-35402 NCGC00015500-05 4-[4-(para-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone SR-01000003076 Tox21_110162 Vesalium Serenase SPBio_001236 NCGC00015500-08 4763-EP2272537A2 Haloperidol, Pharmaceutical Secondary Standard; Certified Reference Material cMAP_000037 NCGC00015500-16 4763-EP2295412A1 Halosten (TN) Dozic (TN) NCGC00023875-07 4763-EP2311801A1 HMS3370H11 Einalon S NSC 615296 IDI1_000654 FT-0697842 Oprea1_509923 AC-19691 KBio2_003909 Haldol Picroside-III Aloperidin (TN) KBioSS_001341 Probes1_000255 API0002885 LNEPOXFFQSENCJ-UHFFFAOYSA- 177716-59-5 BPBio1_000144 MCULE-3693790133 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone Haloperido BSPBio_000130 N1910 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one Haloperidol for system suitability, European Pharmacopoeia (EP) Reference Standard 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
Ki	165.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	270.0 nM	PMID8935801	PDSP,BindingDB
Ki	283.0 nM	PMID7520908	PDSP,BindingDB

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