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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

Ligand

Name	thioridazine
Molecular formula	C21H26N2S2
IUPAC name	10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
Molecular weight	370.573
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.9
Synonyms	10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylthio)- Mellaril-S 3-Methylmercapto-N-(2'-(N-methyl-2-piperidyl)ethyl)phenothiazine Melleryl AB00053553_18 NCGC00016059-10 BCP19922 Novoridazine (TN) C21H26N2S2 Prestwick2_000078 D0U1OE SPBio_001483 DTXSID6023656 Thioridazin KBio2_001546 KBioGR_000791 10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine # Mallorol Thioridazine, prolongatum Tioridazina Meleril 1452-EP2272537A2 Mellerets 57129-06-3 NCGC00016059-04 AKOS016000682 NCGC00016059-14 BPBio1_000325 Orsanil CHEBI:9566 SBI-0051219.P004 DivK1c_000066 Spectrum3_000585 HMS2090J04 Thioridazine Hcl Intensol KBio2_004876 (Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethyl]-2-methylsulfanyl-10H-phenothiazine KBioSS_002310 10-[2-(1-Methyl-piperidin-2-yl)-ethyl]-2-methylsulfanyl-10H-phenothiazine (thioridazine) Thioril (TN) Tox21_110294_1 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine Mellaril (Salt/Mix) 2-Methylmercapto-10-(2-(N-methyl-2-piperidyl)ethyl)phenothiazine Melleril AB00053553-16 NCGC00016059-08 API0003283 NINDS_000066 BSPBio_000295 Prestwick0_000078 cMAP_000015 SCHEMBL9566 DSSTox_GSID_23656 Spectrum_001066 KB-217584 KBio3_001530 10-(2-(1-Methylpiperidin-2-yl)ethyl)-2-(methylthio)-10H-phenothiazine Lopac0_001252 Thioridazine [USAN:INN:BAN] Thoridazine hydrochloride Malloryl 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylthio)- Mellaril-S (TN) 50-52-2 Metlaril AC1L1KDN NCGC00016059-11 BDBM50002338 NS-835 CAS-50-52-2 Prestwick3_000078 SPBio_002216 EINECS 200-044-2 KBio2_002308 (+-)-Thioridazine KBioGR_002308 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine Thioridazinum Tioridazina [INN-Spanish] Mellaril 1452-EP2275420A1 Mellerette 6960AB NCGC00016059-05 Aldazine NCGC00089809-02 BPBio1_001175 Phenothiazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)- SC-19270 dl-Thioridazine Spectrum4_000356 HSDB 3189 KBio2_006682 KLBQZWRITKRQQV-UHFFFAOYSA-N 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine TP-21 Thioridazine prolongatum Thioxidazine Mellaril (TN) 242T875 Melleril (liquid) AB00053553_17 NCGC00016059-09 AX8153985 Novoridazine BSPBio_002030 Prestwick1_000078 D00373 Sonapax DSSTox_RID_77130 Stalleril KBio1_000066 KBio3_002788 10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine LS-105605 Thioridazine [USAN:USP:INN:BAN] Tioridazin MCULE-7796139302 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylthio- Mellarit NCGC00016059-03 AI3-51923 NCGC00016059-13 Biomol-NT_000017 NSC186060 CCG-205326 Ridazine DB00679 Spectrum2_001332 GTPL100 Thioridazine (USP/INN) KBio2_004114 (.+/-.)-Thioridazine KBioSS_001546 10-[2-(1-methyl-piperidin-2-yl)-ethyl]-2-methylsulfanyl-10h-phenothiazine Thioridazinum [INN-Latin] Tox21_110294 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylthio)-10H-phenothiazine Mellaril (Hydrochloride) 1452-EP2298776A1 Melleretten AB00053553 NCGC00016059-07 AN-41562 NCGC00089809-03 BRD-A84481105-003-17-2 Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)- CHEMBL479 SCHEMBL12434241 DSSTox_CID_3656 Spectrum5_001062 IDI1_000066 KBio2_007444 10-(2-(1-Methyl-2-piperidyl)ethyl)-2-(methylthio)phenothiazine L001321 Thioridazine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Thiozine [ Show all ]
Inchi Key	KLBQZWRITKRQQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
PubChem CID	5452
ChEMBL	CHEMBL479
IUPHAR	100
BindingDB	50002338
DrugBank	DB00679
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
Ki	1.3 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	5.0 nM	PMID12629531, PMID2904784, PMID6149136	PDSP,BindingDB

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