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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	SB 206553
Molecular formula	C17H16N4O
IUPAC name	1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
Molecular weight	292.342
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.7
Synonyms	5-Methyl-N-(3-pyridinyl)-3,5-dihydropyrrolo[2,3-f]indole-1(2H)-carboxamide BRD-K36395411-003-01-4 DTXSID9043984 NCGC00015917-03 SB-206553 1-methyl-N-(3-pyridyl)-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide AC1Q5NRE CHEBI:8977 L001241 NCGC00025248-01 SCHEMBL1459242 BDBM50060417 CTK8H1211 NCGC00015917-01 ZINC5994 C11740 GTPL189 NCGC00015917-04 SB-206553 hydrochloride hydrate 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide AKOS027381420 Lopac-S-180 NCGC00025248-02 Tocris-1661 5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-carboxylic acid pyridin-3-ylamide Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl- D03YPJ NCGC00015917-02 SB-206,553 AC1L1JQU CCG-205237 KB-292801 NCGC00015917-07 SB206553 158942-04-2 AL4387525T CHEMBL297784 Lopac0_001163 pyrrolo[2,3-f]indole-1(2h)-carboxamide, 3,5-dihydro-5-methyl-n-3-pyridinyl- UNII-AL4387525T [ Show all ]
Inchi Key	QJQORSLQNXDVGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
PubChem CID	5163
ChEMBL	CHEMBL297784
IUPHAR	189
BindingDB	50060417
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	1584.89 - 2511.89 nM	PMID15322733, PMID8821530	IUPHAR
Ki	1621.81 nM	PMID7629791, PMID8709108	BindingDB,ChEMBL
Ki	1659.58 nM	PMID8821530	PDSP,BindingDB
Ki	1995.26 nM	PMID9572885, PMID9357513	ChEMBL
Ki	2290.87 nM	PMID15322733	PDSP
Ki	2290.87 nM	PMID15322733	BindingDB

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