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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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	Brotopon (TN) SW196557-4 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one C21H23ClFNO2 Uliolind 4763-EP2269990A1 CHEMBL54 4763-EP2295061A1 Dozic 4763-EP2308870A2 Duraperidol (TN) 61788-97-4 FT-0669100 AB2000375 H 1512 Aloperidin Serenace AOB5645 Sigaperidol (TN) 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)- Bioperidolo (TN) Spectrum5_000788 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one LP00583 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 Butyrophenone, 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidino)- Tox21_110162_1 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone CCG-36042 VU0239704-10 4763-EP2272973A1 D00136 4763-EP2295439A1 DSSTox_CID_14150 4763-EP2311824A1 EINECS 200-155-6 AB00052008 gamma-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone AC1Q77Z0 Haldol La Aloperidolo Serenase (TN) BDBM21398 SPBio_002069 4'-Fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone BRD-K67783091-001-04-8 SR-01000003076-11 4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone 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 HMS3261F08 NSC 170973 I14-14165 Opera_ID_446 KBio2_002390 Phenolic epoxy resin KBioGR_002390 Prestwick_250 Linton (TN) 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl) -1-butanone C-35402 TR-018722 4-[4-(para-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone CHEBI:5613 WLN: T6NTJ A3VR DF& DQ DR DG 4763-EP2277876A1 DB00502 4763-EP2305260A1 DTXSID4034150 5-21-02-00377 (Beilstein Handbook Reference) Eukystol (TN) AB00052008_23 gamma-[4-(p-chlorophenyl)-4-hydroxypiperidino]-p-fluorobutyrophenone AKOS000280660 SC-81035 Aloperidon Sernel 1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine Biomol-NT_000035 Spectrum3_000448 4'-Fluoro-4-[4-hydroxy-4-(4'-chlorophenyl)piperidino]butyrophenone BRN 0331267 ST50319916 MFCD00051423 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 BSPBio_000130 Tocris-0931 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one CAS-52-86-8 UNII-J6292F8L3D 4763-EP2272537A2 cMAP_000037 4763-EP2295412A1 Dozic (TN) 4763-EP2311801A1 Einalon S FT-0697842 AC-19691 Haldol Aloperidin (TN) Serenace (TN) API0002885 SMR000058303 177716-59-5 BPBio1_000144 Spectrum_000861 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone LS-48311 Halojust 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 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- Tox21_300475 4-[4-(4-chlorophenyl)-4-hydroxypiperidyl]-1-(4-fluorophenyl)butan-1-one CCG-39111 W-105791 4763-EP2275420A1 D0D1AL 4763-EP2298731A1 DSSTox_GSID_34150 4763-EP2311837A1 EU-0100583 AB00052008-21 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorbutyrophenone AC250 Haldol Solutab Aloperidolo [DCIT] Serenelfi .gamma.-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone BG0211 SPECTRUM1500325 4'-Fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone BRD-K67783091-001-05-5 SR-01000003076-2 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 HMS3370H11 NSC 615296 IDI1_000654 Oprea1_509923 KBio2_003909 Picroside-III KBioSS_001341 Probes1_000255 LNEPOXFFQSENCJ-UHFFFAOYSA- STL417208 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone C01814 Ulcolind 4763-EP2269989A1 ZINC537822 4763-EP2292614A1 DivK1c_000654 4763-EP2308867A2 Duraperidol 52-86-8 Fortunan AB00052008_24 GTPL86 Aldo SCHEMBL8264 AN-41634 Sigaperidol 1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)- Bioperidolo Spectrum4_000570 4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone Brotopon 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 NCGC00254503-01 HMS502A16 NSC-757054 J6292F8L3D Peluces (TN) KBio2_007526 Prestwick0_000115 Keselan (TN) R 1625 BSPBio_002096 Tox21_110162 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one CC-16450 Vesalium 4763-EP2272972A1 CS-1971 4763-EP2295413A1 Dozix 4763-EP2311803A1 Einalon S (TN) A0H334 Galoperidol AC1L1G7K Haldol (TN) Aloperidol Serenase Apo-Haloperidol SPBio_001236 BPBio1_001231 SR-01000003076 4-(4-(para-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone McM-JR-1625 Halol 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 4-[4-(4-Chlorophenyl)-4-hydroxy- 1-piperidinyl]-1-(4-fluorophenyl)- 1-butanone Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro- Tox21_500583 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone CCRIS 1630 W0039 4763-EP2277872A1 4763-EP2298776A1 DSSTox_RID_79117 4763-EP2316834A1 Eukystol AB00052008-22 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorobutyrophenone ACM1189986591 SC 170973 Halidol Aloperidolo [Italian] Sernas .gamma.-[4-(p-Chlorphenyl)-4-hydroxpiperidino]-p-fluorbutyrophenone BIDD:GT0128 Spectrum2_001268 4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone BRD-K67783091-003-03-6 SR-01000003076-8 MDMO-PPV 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 [ 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
	N/A	N/A	DrugBank
Affinity ratio	0.016 -	PMID8568801	ChEMBL
IC50	75.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	288.0 nM	PMID8831770	BindingDB,ChEMBL
Ki	21.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	25.0 nM	PMID9015795, PMID14998318	PDSP,BindingDB,ChEMBL
Ki	30.0 nM	PMID16051647	PDSP
Ki	36.0 nM	Wander et al., PMID1987	PDSP
Ki	46.0 nM	PMID9577836, http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP,BindingDB
Ki	50.1187 - 199.526 nM	PMID8935801, PMID9732398, PMID12629531, PMID15102927, PMID18308814	IUPHAR
Ki	53.0 nM	PMID12629531	PDSP,BindingDB
Ki	53.31 nM	Andorn et al., PMID1984	PDSP
Ki	60.0 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	61.0 nM	PMID11132243	PDSP,BindingDB
Ki	70.2 nM	PMID15102927	PDSP,BindingDB
Ki	75.85 nM	PMID9225287	PDSP,BindingDB
Ki	100.0 nM	, None, PMID17880057	BindingDB,ChEMBL
Ki	103.0 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	108.0 nM	PMID8831770	BindingDB,ChEMBL
Ki	112.0 nM	PMID7520908	PDSP,BindingDB
Ki	120.0 nM	PMID18595716, PMID25070422	PDSP,BindingDB,ChEMBL
Ki	130.0 nM	PMID14695828	PDSP,BindingDB,ChEMBL
Ki	165.96 nM	PMID18783204, PMID17588750, PMID24316025, PMID19796944, PMID14741248, MedChemComm, (2011) 2:12:1194	BindingDB,ChEMBL
Ki	166.0 nM	PMID14741248	BindingDB
Ki	186.0 nM	PMID8997630	PDSP,BindingDB
Ki	200.0 nM	PMID8935801	PDSP,BindingDB
Ki	435.0 nM	PMID15771415	PDSP,BindingDB,ChEMBL
Ratio	0.82 -	PMID11784139	ChEMBL

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