Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	Aloperidin (TN) Serenase API0002885 SPBio_001236 177716-59-5 BPBio1_000144 SR-01000003076 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone BSPBio_000130 Tox21_110162 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one CAS-52-86-8 Vesalium 4763-EP2272537A2 cMAP_000037 4763-EP2295412A1 Dozic (TN) 4763-EP2311801A1 Einalon S FT-0697842 AC-19691 Haldol 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- SC 170973 Haldol Solutab Aloperidolo [DCIT] Sernas .gamma.-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone BG0211 Spectrum2_001268 4'-Fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone BRD-K67783091-001-05-5 SR-01000003076-8 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_500583 4-[4-(4-chlorophenyl)-4-hydroxypiperidyl]-1-(4-fluorophenyl)butan-1-one CCG-39111 W0039 4763-EP2275420A1 D0D1AL 4763-EP2298731A1 DSSTox_GSID_34150 4763-EP2311837A1 EU-0100583 AB00052008-21 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorbutyrophenone AC250 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 Aldo Serenace AN-41634 Sigaperidol (TN) 1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)- Bioperidolo Spectrum5_000788 4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone Brotopon SW196557-4 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone C01814 Uliolind 4763-EP2269989A1 4763-EP2292614A1 DivK1c_000654 4763-EP2308867A2 Duraperidol 52-86-8 Fortunan AB00052008_24 GTPL86 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 Haldol (TN) Aloperidol Serenase (TN) Apo-Haloperidol SPBio_002069 BPBio1_001231 SR-01000003076-11 4-(4-(para-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone BSPBio_002096 Tox21_110162_1 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one CC-16450 VU0239704-10 4763-EP2272972A1 CS-1971 4763-EP2295413A1 Dozix 4763-EP2311803A1 Einalon S (TN) A0H334 Galoperidol AC1L1G7K 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 SC-81035 Halidol Aloperidolo [Italian] Sernel .gamma.-[4-(p-Chlorphenyl)-4-hydroxpiperidino]-p-fluorbutyrophenone BIDD:GT0128 Spectrum3_000448 4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone BRD-K67783091-003-03-6 ST50319916 4-[4-(4-Chlorophenyl)-4-hydroxy- 1-piperidinyl]-1-(4-fluorophenyl)- 1-butanone Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4'-fluoro- TR-018722 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone CCRIS 1630 WLN: T6NTJ A3VR DF& DQ DR DG 4763-EP2277872A1 4763-EP2298776A1 DSSTox_RID_79117 4763-EP2316834A1 Eukystol AB00052008-22 gamma-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-p-fluorobutyrophenone ACM1189986591 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 Aloperidin Serenace (TN) AOB5645 SMR000058303 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)- Bioperidolo (TN) Spectrum_000861 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one Brotopon (TN) Tocris-0931 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one C21H23ClFNO2 UNII-J6292F8L3D 4763-EP2269990A1 CHEMBL54 4763-EP2295061A1 Dozic 4763-EP2308870A2 Duraperidol (TN) 61788-97-4 FT-0669100 AB2000375 H 1512 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) Haldol La Aloperidolo Serenelfi BDBM21398 SPECTRUM1500325 4'-Fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone BRD-K67783091-001-04-8 SR-01000003076-2 4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone Butyrophenone, 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidino)- Tox21_300475 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone CCG-36042 W-105791 4763-EP2272973A1 D00136 4763-EP2295439A1 DSSTox_CID_14150 4763-EP2311824A1 EINECS 200-155-6 AB00052008 gamma-(4-(p-Chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone AC1Q77Z0 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 AKOS000280660 SCHEMBL8264 Aloperidon Sigaperidol 1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine Biomol-NT_000035 Spectrum4_000570 4'-Fluoro-4-[4-hydroxy-4-(4'-chlorophenyl)piperidino]butyrophenone BRN 0331267 STL417208 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl) -1-butanone C-35402 Ulcolind 4-[4-(para-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone CHEBI:5613 ZINC537822 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 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 [ 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	<10000.0 nM	PMID9622542	BindingDB,ChEMBL
IC50	3347.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	<5000.0 nM	PMID14998318	BindingDB,ChEMBL
Ki	<10000.0 nM	PMID9225287, PMID12629531	PDSP,BindingDB
Ki	35.71 nM	PMID2904784	BindingDB
Ki	1753.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2511.89 nM	PMID10425088	ChEMBL
Ki	3085.0 nM	PMID8822531	PDSP,BindingDB
Ki	3949.0 nM	, None, PMID8997630	PDSP,BindingDB,ChEMBL
Ki	4570.88 nM	PMID11101359, PMID11754579	ChEMBL
Ki	4700.0 nM	PMID18595716, PMID11132243	PDSP,BindingDB,ChEMBL
Ki	5000.0 nM	PMID10991983	PDSP,BindingDB
Ki	5454.0 nM	PMID15771415	PDSP
Ki	7244.0 nM	PMID14741248	BindingDB
Ki	7244.36 nM	PMID19796944, PMID17588750, PMID14741248, PMID18783204	BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218