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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	Bos taurus (Bovine)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	470
Amino acid sequence	MDILCEENTSLSSTTNSLMQLHADTRLYSTDFNSGEGNTSNAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSTLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADENFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDPGTRTKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNRDVIEALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGPKKNSKKDDKTTDNDCTMVALGKEHPEDAPADSSNTVNEKVSCV
UniProt	Q75Z89
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	CHEMBL3446
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL62612
Molecular formula	C22H24N4S
IUPAC name	8-(4-benzylpiperazin-1-yl)-4,5-dimethyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight	376.522
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.4
Synonyms	BDBM50407751
Inchi Key	BKNVUCYNQODGLA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4S/c1-16-17(2)27-22-20(16)23-21(19-9-6-10-26(19)22)25-13-11-24(12-14-25)15-18-7-4-3-5-8-18/h3-10H,11-15H2,1-2H3
PubChem CID	10809561
ChEMBL	CHEMBL62612
IUPHAR	N/A
BindingDB	50407751
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	173780.0 nM	PMID8642566	BindingDB,ChEMBL

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