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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	5-Carboxamidotryptamine
Molecular formula	C11H13N3O
IUPAC name	3-(2-aminoethyl)-1H-indole-5-carboxamide
Molecular weight	203.245
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	-0.6
Synonyms	ZINC2539813 1H-Indole-5-carboxamide,3-(2-aminoethyl)- AKOS027380025 CHEMBL18840 LS-82468 NCGC00024598-03 RTR-033194 [3H]-5-Carboxyamidotryptamine 3-(2-aminoethyl)-1H-indole-5-carboxamide 74885-09-9 BPBio1_001405 GTPL4 NCGC00015182-03 UNII-91H76044O0 AC1L1CAC CHEBI:48292 Lopac-C-117 NCGC00024598-01 [3H]-5-Carboxamide tryptamine 5-Carboxyamidotryptamine BDBM21392 CTK5E0633 NCGC00015182-01 PDSP1_000774 SCHEMBL2677791 [3H]-5-CT 3-(2-aminoethyl)-1h-indole-5-carboxylic acid amide 91H76044O0 BRD-K92382976-103-01-8 KB-334392 NCGC00015182-04 WKZLNEWVIAGNAW-UHFFFAOYSA-N 1H-Indole-5-carboxamide, 3-(2-aminoethyl)- 5-Carboxamide tryptamine AC1Q5DOI Lopac0_000352 NCGC00024598-02 PDSP2_000762 [3h]-5-carboxamidotryptamine 3-(2-AMINO-ETHYL)-1H-INDOLE-5-CARBOXYLIC ACID AMIDE 5-CT Biomol-NT_000109 D02UWB NCGC00015182-02 Tocris-0458 3-(2-Aminoethyl-1H-indole-5-carboxamide A22556 CCG-204447 L000077 NCGC00015182-05 [ Show all ]
Inchi Key	WKZLNEWVIAGNAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
PubChem CID	1809
ChEMBL	CHEMBL18840
IUPHAR	4
BindingDB	21392
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	316.228 nM	PMID15322733	IUPHAR
Ki	316.228 nM	PMID15322733	PDSP
Ki	549.54 nM	PMID10498829	BindingDB
Ki	549.541 nM	PMID10498829	PDSP
Ki	>5011.87 nM	PMID14613313	ChEMBL
p[A50]	5.9 -	PMID7658443	ChEMBL

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