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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

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	Sernel Spectrum3_000448 ST50319916 TR-018722 WLN: T6NTJ A3VR DF& DQ DR DG SC-81035 4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone Brotopon MLS000028450 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone Haloperidol (JP15/USP/INN) C01814 NCGC00015500-04 4763-EP2269989A1 Haloperidol [USAN:INN:BAN:JAN] NCGC00015500-12 4763-EP2292614A1 Haloperidolum [INN-Latin] DivK1c_000654 NCGC00023875-02 4763-EP2308867A2 HMS2091J09 Duraperidol NCGC00261268-01 52-86-8 HSDB 3093 Fortunan NSC170973 AB00052008_24 KB-79571 GTPL86 Peridol Aldo KBio3_001316 Prestwick1_000115 AN-41634 L000288 1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)- R-1625 Bioperidolo LP00583 Serenace (TN) SMR000058303 Spectrum_000861 Tocris-0931 UNII-J6292F8L3D 4-(4-(para-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone Halopal BSPBio_002096 MRF-0000027 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one Haloperidol for peak identification, European Pharmacopoeia (EP) Reference Standard CC-16450 NCGC00015500-07 4763-EP2272972A1 Haloperidol, European Pharmacopoeia (EP) Reference Standard CS-1971 NCGC00015500-15 4763-EP2295413A1 Halosten Dozix NCGC00023875-06 4763-EP2311803A1 HMS3261F08 Einalon S (TN) NSC 170973 A0H334 I14-14165 Galoperidol Opera_ID_446 AC1L1G7K KBio2_002390 Haldol (TN) Phenolic epoxy resin Aloperidol KBioGR_002390 Prestwick_250 Apo-Haloperidol Linton (TN) SBI-0050565.P004 BPBio1_001231 McN-JR-1625 Serenelfi SPECTRUM1500325 SR-01000003076-2 Tox21_300475 W-105791 BRD-K67783091-003-03-6 MFCD00051423 4-[4-(4-Chlorophenyl)-4-hydroxy- 1-piperidinyl]-1-(4-fluorophenyl)- 1-butanone Haloperidol (Haldol) Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro- NCGC00015500-02 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone Haloperidol lactate CCRIS 1630 NCGC00015500-10 4763-EP2277872A1 Haloperidol, United States Pharmacopeia (USP) Reference Standard NCGC00015500-19 4763-EP2298776A1 HMS1920D03 DSSTox_RID_79117 NCGC00023875-09 4763-EP2316834A1 HMS3712G12 Eukystol NSC-615296 AB00052008-22 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-hydroxypiperidino)-p-fluorobutyrophenone Peluces ACM1189986591 KBio2_006477 Halidol Poly[2-methoxy-5-(3,7-dimethyoctyoxyl)-1,4-phenylenevinylene] Aloperidolo [Italian] Keselan .gamma.-[4-(p-Chlorphenyl)-4-hydroxpiperidino]-p-fluorbutyrophenone QTL1_000042 BIDD:GT0128 Lopac-H-1512 4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone Sigaperidol Spectrum4_000570 STL417208 Ulcolind ZINC537822 SCHEMBL8264 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one Halojust Brotopon (TN) MLS001146904 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one Haloperidol (JP17/USP/INN) C21H23ClFNO2 NCGC00015500-05 4763-EP2269990A1 Haloperidol [USAN:USP:INN:BAN:JAN] CHEMBL54 NCGC00015500-13 4763-EP2295061A1 Halopidol Dozic NCGC00023875-04 4763-EP2308870A2 HMS2095G12 Duraperidol (TN) NINDS_000654 61788-97-4 HY-14538 FT-0669100 NSC615296 AB2000375 KBio1_000654 H 1512 Pernox Aloperidin KBio3_002869 Prestwick2_000115 AOB5645 Lealgin compositum 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)- Resin epoxy Bioperidolo (TN) LS-48311 Serenase SPBio_001236 SR-01000003076 Tox21_110162 Vesalium BRD-K67783091-001-04-8 MCULE-3693790133 4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone Haloperido Butyrophenone, 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidino)- N1910 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone Haloperidol for system suitability, European Pharmacopoeia (EP) Reference Standard CCG-36042 NCGC00015500-08 4763-EP2272973A1 Haloperidol, Pharmaceutical Secondary Standard; Certified Reference Material D00136 NCGC00015500-16 4763-EP2295439A1 Halosten (TN) DSSTox_CID_14150 NCGC00023875-07 4763-EP2311824A1 HMS3370H11 EINECS 200-155-6 NSC 615296 AB00052008 IDI1_000654 gamma-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone Oprea1_509923 AC1Q77Z0 KBio2_003909 Haldol La Picroside-III Aloperidolo KBioSS_001341 Probes1_000255 BDBM21398 LNEPOXFFQSENCJ-UHFFFAOYSA- 4'-Fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone Sernas Spectrum2_001268 SR-01000003076-8 Tox21_500583 W0039 SC 170973 BRN 0331267 Mixidol 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl) -1-butanone Haloperidol (JP15/USP) C-35402 NCGC00015500-03 4-[4-(para-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone Haloperidol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material CHEBI:5613 NCGC00015500-11 4763-EP2277876A1 Haloperidolum DB00502 NCGC00016234-01 4763-EP2305260A1 HMS2089M15 DTXSID4034150 NCGC00254503-01 5-21-02-00377 (Beilstein Handbook Reference) HMS502A16 Eukystol (TN) NSC-757054 AB00052008_23 J6292F8L3D gamma-[4-(p-chlorophenyl)-4-hydroxypiperidino]-p-fluorobutyrophenone Peluces (TN) AKOS000280660 KBio2_007526 Prestwick0_000115 Aloperidon Keselan (TN) 1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine R 1625 Biomol-NT_000035 Lopac0_000583 4'-Fluoro-4-[4-hydroxy-4-(4'-chlorophenyl)piperidino]butyrophenone Sigaperidol (TN) Spectrum5_000788 SW196557-4 Uliolind Serenace 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone Halol BSPBio_000130 MolPort-000-883-311 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one Haloperidol 1.0 mg/ml in Methanol CAS-52-86-8 NCGC00015500-06 4763-EP2272537A2 Haloperidol, 1 cMAP_000037 NCGC00015500-14 4763-EP2295412A1 Halopoidol Dozic (TN) NCGC00023875-05 4763-EP2311801A1 HMS2234P08 Einalon S Novo-Peridol I14-13404 FT-0697842 NSC757054 AC-19691 KBio2_001341 Haldol Pharmakon1600-01500325 Aloperidin (TN) KBioGR_000980 Prestwick3_000115 API0002885 Linton 177716-59-5 S1920 BPBio1_000144 McM-JR-1625 Serenase (TN) SPBio_002069 SR-01000003076-11 Tox21_110162_1 VU0239704-10 BRD-K67783091-001-05-5 MDMO-PPV 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- NCGC00015500-01 4-[4-(4-chlorophenyl)-4-hydroxypiperidyl]-1-(4-fluorophenyl)butan-1-one Haloperidol Intensol CCG-39111 NCGC00015500-09 4763-EP2275420A1 Haloperidol, powder D0D1AL NCGC00015500-17 4763-EP2298731A1 HMS1568G12 DSSTox_GSID_34150 NCGC00023875-08 4763-EP2311837A1 HMS3657I13 EU-0100583 NSC-170973 AB00052008-21 IN1474 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorbutyrophenone Pekuces AC250 KBio2_004958 Haldol Solutab Pms Haloperidol Aloperidolo [DCIT] KBioSS_002395 .gamma.-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone Probes2_000296 BG0211 LNEPOXFFQSENCJ-UHFFFAOYSA-N 4'-Fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone [ 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	2050.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	372.0 nM	PMID9459568	PDSP,BindingDB
Ki	398.107 - 1584.89 nM	PMID9459568	IUPHAR
Ki	1305.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1420.0 nM	PMID9459568	PDSP,BindingDB
Ki	1819.7 nM	PMID9225287	PDSP,BindingDB

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