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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL322
IUPHAR	6
DrugBank	N/A

Ligand

Name	UNII-3SH45L9H3Z
Molecular formula	C15H19IN4S
IUPAC name	3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate
Molecular weight	414.309
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.3
Synonyms	3SH45L9H3Z Tocris-0779 BDBM22913 L000316 {[3-(1H-imidazol-5-yl)propyl]sulfanyl}-N''''-[2-(4-iodophenyl)ethyl]methanimidamide 3-(1H-Imidazol-5-yl)propyl N'-(2-(4-iodophenyl)ethyl)imidothiocarbamate Carbamimidothioic acid, [2-(4-iodophenyl)ethyl]-,3-(1H-imidazol-4-yl)propyl ester SCHEMBL114508 CHEMBL498770 145196-88-9 BDBM50170165 NCGC00024785-01 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate CHEBI:92905 SCHEMBL13039517 AC1MHZWP DTXSID20273996 ZINC14979644 BRD-K51918615-303-01-1 NCGC00024785-02 [ Show all ]
Inchi Key	UBHYDQAARZKHEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
PubChem CID	3035746
ChEMBL	CHEMBL498770
IUPHAR	N/A
BindingDB	50170165, 22913
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	1900.0 nM	PMID8564266	BindingDB

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