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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	Dipropyl-5-CT
Molecular formula	C17H25N3O
IUPAC name	3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide
Molecular weight	287.407
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.2
Synonyms	L000940 NCGC00015310-03 PDSP2_001246 CHEBI:92566 N,N-Dipropyl-5-carboxamidotryptamine NCGC00162145-02 ZINC2539820 Biomol-NT_000159 D0D3PZ DP5CT NCGC00015310-01 PDSP1_001262 3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide CAS_156314 Lopac-D-132 NCGC00015310-04 PDSP2_001599 AC1L4FYC N,N-Dipropyl-5-carboxamidotryptamine maleate NN-DIPROP-5-CT BPBio1_000662 GTPL122 NCGC00015310-02 PDSP1_001615 74885-25-9 CCG-204501 Lopac0_000408 NCGC00162145-01 SCHEMBL8891095 BDBM81789 CHEMBL1332062 DP-5-CT N,N-Dipropylcarboxamidotryptamine NSC_156314 1H-Indole-5-carboxamide, 3-(2-(dipropylamino)ethyl)- BRD-K32645441-001-01-4 [ Show all ]
Inchi Key	DPXOFRGRKPFZOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)
PubChem CID	156314
ChEMBL	CHEMBL1332062
IUPHAR	122
BindingDB	81789
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	512.86 nM	PMID9225287	PDSP,BindingDB

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