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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	CHEMBL95112
Molecular formula	C23H27FN2O2S
IUPAC name	5-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
Molecular weight	414.539
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.4
Synonyms	BDBM50409516 QF-0506B
Inchi Key	AFYKQUVNHCGGNK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27FN2O2S/c24-19-5-3-17(4-6-19)21(27)2-1-9-25-11-13-26(14-12-25)10-7-18-16-22-20(23(18)28)8-15-29-22/h3-6,8,15,18H,1-2,7,9-14,16H2
PubChem CID	10093238
ChEMBL	CHEMBL95112
IUPHAR	N/A
BindingDB	50409516
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	23.44 nM	PMID11754579	BindingDB,ChEMBL
Ki	42.66 nM	PMID10425088, PMID11754579	ChEMBL
Ratio	1.12 -	PMID10425088	ChEMBL
Ratio	1.25 -	PMID10425088	ChEMBL

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