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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	N-(4-fluorophenyl)-6-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular formula	C15H15FN6O
IUPAC name	N-(4-fluorophenyl)-6-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular weight	314.324
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.2
Synonyms	MolPort-008-345-039 SR-01000922313 AKOS005655429 ZINC23135917 F5325-0064 SR-01000922313-1 MCULE-5850939098 1105223-76-4 N-(4-fluorophenyl)-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine STK944773 CHEMBL2393269 [ Show all ]
Inchi Key	ALXXXCXQNDTUNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15FN6O/c16-10-1-3-11(4-2-10)18-13-12-9-17-21-14(12)20-15(19-13)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,17,18,19,20,21)
PubChem CID	30859359
ChEMBL	CHEMBL2393269
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2618.0 nM	PMID23537943	ChEMBL
Inhibition	83.0 %	PMID23537943	ChEMBL

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