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GLASS

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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	chlorpromazine
Molecular formula	C17H19ClN2S
IUPAC name	3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Molecular weight	318.863
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.2
Synonyms	Prozil SC-50091 Lomazine (Salt/Mix) SPECTRUM1500184 MLS003166901 STK182870 NCGC00015273-06 Tox21_110120_1 NCGC00015273-14 ZINC44027 NCGC00024409-07 NSC-756689 Phenothiazine hydrochloride Prestwick2_000064 AX8120990 J10069 Bio1_001435 KBio2_005758 C17H19ClN2S KS-00002WW5 Chlor-Promanyl Chlorpromanyl (discontinued) 2-chloro-10-(3-(dimethylamino)propyl)-phenothiazine Chlorpromazine;[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine 2-Cloro-10 (3-dimetilaminopropil)fenotiazina [Italian] CPZ 34468-21-8 DSSTox_CID_2808 AB00051943-15 Fenactil Aminasine HMS1920M03 QTL1_000021 Largactil (TN) SKF 2601A LS-105361 Spectrum4_000283 NCGC00015273-01 Thorazine hydrochloride NCGC00015273-09 UNII-U42B7VYA4P NCGC00015273-17 [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride Norcozine (Salt/Mix) NSC756689 Plegomasine Promactil HMS3430C19 BC 135 KBio1_000624 BPBio1_001181 KBio3_002792 CCG-40059 KUC112482N Chlorderazin Chlorpromazine (USP/INN) 2-chloro-10-[3-(dimethylamino)propyl]- Clorpromazina 3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine D00270 4560 Rp hydrochloride DTXSID0022808 AB00051943_18 FT-0653683 Ampliactil Sanopron Largactilothiazine SPBio_001111 MCULE-5976054678 SR-01000000012-5 NCGC00015273-04 Torazina NCGC00015273-12 WLN: T C666 BN ISJ B3N1&1 EG NCGC00024409-05 [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine( Chlorpromazine) NSC 167745 Phenactyl Prestwick0_000064 Propaphen AN-41563 I14-6226 Bio1_000457 KBio2_003190 BSPBio_002011 KBioSS_000622 Chloropromazine 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, radical ion(1+) Chlorpromazine [USAN:INN:BAN] 2-Chloropromazine cMAP_000017 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine DB00477 Epitope ID:136898 AKOS001490972 Hibernal (Salt/Mix) Psychozine L000182 SCHEMBL8321 Lopac-C-8138 Spectrum2_001156 MolPort-001-727-953 Thorazine NCGC00015273-07 Tranzine (Salt/Mix) NCGC00015273-15 ZPEIMTDSQAKGNT-UHFFFAOYSA-N NCGC00024409-08 NSC167745 Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)- Prestwick3_000064 BAS 00010434 JHICC02042 Biomol-NT_000020 KBio2_007448 CAS-50-53-3 KS-5101 Chlor-PZ (chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine Chlorpromazin 2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine Chlorpromazinum 2601-A Cromedazine 4560 R.P DSSTox_GSID_22808 AB00051943-16 Fenaktyl Aminazin HMS2089C12 R1242 Largactil Liquid SKF-2601 M-1209 Spectrum5_000717 NCGC00015273-02 Thorazine Spansule NCGC00015273-10 Unitensen NCGC00015273-19 [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine Novo-Chlorpromazine Oprea1_110255 Plegomazin Promapar HMS501P06 BCP03610 KBio2_000622 BRD-K89997465-001-05-3 KBioGR_000806 CCRIS 3711 Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine 10-(3-Dimethylaminopropyl)-2-chlorophenothiazine Chlorpromazine cation radical 2-Chloro-10-[3-(dimethylamino)propyl]phenothiazine Clorpromazina [INN-Spanish] 3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine # D01ZII 50-53-3 EINECS 200-045-8 AB0015094 GG 407 Amplicitil SBI-0050237.P004 Largactyl SPBio_002168 Megaphen SR-01000000012-6 NCGC00015273-05 Tox21_110120 NCGC00015273-13 Z80 NCGC00024409-06 [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine(clorpromazine) NSC-167745 Phenathyl Prestwick1_000064 Propaphenin API0001970 IDI1_000624 Bio1_000946 KBio2_004880 C06906 KBioSS_002314 CHEMBL71 Chlorpromados 1N,1N-dimethyl-3-(2-chloro-10H-10-phenothiazinyl)-1-propanamine Chlorpromazine [USP:INN:BAN] 2-Cloro-10 (3-dimetilaminopropil)fenotiazina Contomin 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine DivK1c_000624 AB00051943 Esmind ALBB-022464 HL 5746 QSPL 401 Largactil SKF 2601-A Lopac0_000249 Spectrum3_000346 N-(3-Dimethylaminopropyl)-3-chlorophenothiazine Thorazine (TN) NCGC00015273-08 U42B7VYA4P NCGC00015273-16 [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine NINDS_000624 NSC17479 Phenothiazine, 2-chloro-10-[3-(dimethylamino)propyl]- Proma HMS2091E06 BBL028251 KB-232587 BPBio1_000273 KBio3_001231 CAS-69-09-0 KSC-315-032- Chlordelazine (chlorpromazine)[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine 2-Chloro-10-(3-dimethylaminopropyl)phenothiazine Chlorpromazinum [INN-Latin] 2601A CTK1C5154 4560 R.P. DSSTox_RID_76736 AB00051943_17 Fraction AB Aminazine RP-4560 Largactil Oral Drops SMR001453710 M176 Spectrum_000142 NCGC00015273-03 Thorazine Suppositories NCGC00015273-11 Wintermin NCGC00024409-04 [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine (chlor-promazine) Novomazina Pharmakon1600-01500184 Prazilpromactil Promazil HSDB 3033 BDBM50001888 KBio2_002312 BSPBio_000247 KBioGR_002312 CHEBI:3647 Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine [French] 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl- Chlorpromazine Tannate 2-chloro-N,N-dimethyl-10H-Phenothiazine-10-propanamine Clorpromazina [Italian] 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine Elmarin AC1L1EBT GTPL83 Amplictil [ Show all ]
Inchi Key	ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
PubChem CID	2726
ChEMBL	CHEMBL71
IUPHAR	83
BindingDB	50001888
DrugBank	DB00477
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	3.4 nM	PMID23919353	ChEMBL
IC50	3.851 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.1 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.4 nM	Wander et al., PMID1987	PDSP
Ki	1.8 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	2.0 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	2.75 nM	PMID16051647	PDSP
Ki	2.8 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	3.5 nM	PMID9015795	PDSP
Ki	5.4 nM	Andorn et al., PMID1984	PDSP
Ki	5.888 nM	PMID24365159	ChEMBL
Ki	5.9 nM	PMID24365159	ChEMBL
Ki	6.31 nM	PMID17880057	ChEMBL
Ki	7.94328 nM	PMID12629531	IUPHAR
Ki	8.0 nM	PMID12629531	PDSP,BindingDB
Ki	111.3 nM	Elliot & Kent, PMID1989	PDSP

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