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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	D-Tetrahydropalmatine
Molecular formula	C21H25NO4
IUPAC name	(13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular weight	355.434
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	UNII-7BLG4NXS54 (+)-2,3,9,10-Tetramethoxyberbine 2,3,9,10-Tetramethoxy-13a\|A-berbine CHEMBL2334889 MolPort-001-728-103 (+)-Tetrahydropalmatine Alkaloid 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aR)- SCHEMBL2742488 Tetrahydropalmatine, (+)- (R)-Tetrahydropalmatine AC1LJ6RP I14-18854 Y0073 (+)-Corydalis B 3520-14-7 Corydalis alkaloid B N1188 tetrahydropalmatine (13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline 6H-Dibenzo[a,g]quinolizine,5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aR)- DTXSID80359548 UNII-78F8583LNQ component AEQDJSLRWYMAQI-QGZVFWFLSA-N (+)-(R)-Tetrahydropalmatine 13abeta-Berbine, 2,3,9,10-tetramethoxy- MCULE-1328768112 ZINC19535046 (+)-Tetrahydropalmatine 520T147 corydalis B Rotundine Tetrahydropalmatine D-form [MI] (13aR)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine 7BLG4NXS54 FT-0675040 [ Show all ]
Inchi Key	AEQDJSLRWYMAQI-QGZVFWFLSA-N
Inchi ID	InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1
PubChem CID	969488
ChEMBL	CHEMBL2334889
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
Inhibition	29.7 %	PMID23332346	ChEMBL

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