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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-Chlorotryptamine
Molecular formula	C10H11ClN2
IUPAC name	2-(5-chloro-1H-indol-3-yl)ethanamine
Molecular weight	194.662
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.2
Synonyms	AC1Q54BY BDBM50331286 EINECS 223-184-6 MolPort-001-791-100 STK386806 1H-Indole-3-ethanamine, 5-chloro- 2-(5-Chloro-1H-indol-3-yl)ethylamine # 5-Cl-T AB0086136 AKOS000266602 CCG-20517 FVQKQPVVCKOWLM-UHFFFAOYSA-N SC-75924 ZERO/005526 2-(5-chloro-1H-indol-3-yl) ethanamine 5-Chloro-1H-indole 3-ethanamine AC1L2SXD BB 0242423 CTK4H8554 KB-15163 ST096829 2-(5-chloro-1H-indol-3-yl)ethanamine 5-Chloro-1H-indole-3-ethylamine; 2-(5-Chloro-1H-indol-3-yl)ethanamine AC1Q54BZ CB05124 EU-0011875 Oprea1_792077 VI30020 1H-Indole-3-ethanamine,5-chloro- 2-(5-chloroindol-3-yl)ethylamine AB03687 ALBB-004962 HMS1613J03 SCHEMBL626030 ZINC77277 2-(5-Chloro-1H-indol-3-yl)-ethylamine 5-Chloro-1H-indole-3-ethanamine AC1Q3MRZ BBL010651 DTXSID50191073 MCULE-9765462252 ST24039496 2-(5-Chloro-1H-indol-3-yl)ethylamine AJ-10403 CBMicro_013645 FT-0635010 SBB002535 W-6526 2-(5-Chloranyl-1~{h}-Indol-3-Yl)ethanamine 3764-94-1 6SO AB1005638 AS-44802 CHEMBL1288716 I10-0590 SMSF0003286 2-(5-chloro-1H-indol-3-yl)ethan-1-amine 5-Chloro-1H-indole-3-ethylamine [ Show all ]
Inchi Key	FVQKQPVVCKOWLM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
PubChem CID	77379
ChEMBL	CHEMBL1288716
IUPHAR	N/A
BindingDB	50331286
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	4.1 nM	PMID25193229	BindingDB
EC50	4.11 nM	PMID25193229	ChEMBL
Emax	109.0 %	PMID25193229	ChEMBL

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