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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	Talipexole
Molecular formula	C10H15N3S
IUPAC name	6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
Molecular weight	209.311
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.5
Synonyms	NCGC00163160-02 Talipexol [Spanish] UNII-7AM2J46Z1Y 6-allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine ACMC-20db7z C-10747 CS-2860 DTXSID8046321 GTPL5442 NSC_104870 Talipexole [INN] 2-{4-[2-(4-Chlorobenzamido-d4)ethyl]phenozy}-2-methylpropanoic Acid 6-prop-2-enyl-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-amine BDBM86053 CC-34631 D0Y7XC LS-171790 SR-01000722008-2 Tox21_112020 6-(prop-2-en-1-yl)-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepin-2-amine AC1L1K7N BPBio1_001257 CHEMBL279085 DSSTox_GSID_46321 FCH1328384 NCGC00163160-03 ZINC6644 6-allyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[4,5-d]azepin-2-amine AKOS030526065 CAS-101626-70-4 CTK4A0034 HY-A0040 SCHEMBL49817 Talipexolum 4H-Thiazolo[4,5-d]azepin-2-amine,5,6,7,8-tetrahydro-6-(2-propen-1-yl)- 7AM2J46Z1Y BHT920 CHEBI:93327 Domin NCGC00163160-01 Talipexol Tox21_112020_1 6-Allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo(4,5-d)azepine AC1Q4W5P BRD-K75615183-001-01-7 cid_5374 DSSTox_RID_81537 FT-0631016 NCGC00163160-04 Talipexole (INN) 101626-70-4 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine API0009175 CAS_101626-70-4 D08558 L001140 SR-01000722008 Talipexolum [Latin] 5,6,7,8-tetrahydro-6-(2-propenyl)-4H-thiazolo[4,5-d]azepin-2-amine Biomol-NT_000038 DSSTox_CID_26321 [ Show all ]
Inchi Key	DHSSDEDRBUKTQY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
PubChem CID	5374
ChEMBL	CHEMBL279085
IUPHAR	N/A
BindingDB	86053
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID12388666	BindingDB

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