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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1173578
Molecular formula	C21H16ClN5O2S2
IUPAC name	N-benzyl-10-(3-chlorophenyl)sulfonyl-N-methyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
Molecular weight	469.962
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.6
Synonyms	HMS1865H02 ZINC8589274 AKOS021639181 N-benzyl-3-[(3-chlorophenyl)sulfonyl]-N-methylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine SCHEMBL8019549 MCULE-6554002395 BDBM50322159 N-benzyl-N-{3-[(3-chlorophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-methylamine E565-0912 STL192814 MolPort-020-178-648 NCGC00122724-01 [ Show all ]
Inchi Key	AFEOLFPUJYURJM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16ClN5O2S2/c1-26(13-14-6-3-2-4-7-14)19-18-17(10-11-30-18)27-20(23-19)21(24-25-27)31(28,29)16-9-5-8-15(22)12-16/h2-12H,13H2,1H3
PubChem CID	16019292
ChEMBL	CHEMBL1173578
IUPHAR	N/A
BindingDB	50322159
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	50.0 %	PMID20541425	ChEMBL

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