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