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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	CHEMBL54125
Molecular formula	C22H21FN4
IUPAC name	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
Molecular weight	360.436
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.7
Synonyms	BDBM50408155 SCHEMBL8570057 4-[4-(4-Fluorobenzyl)-1-piperazinyl]pyrrolo[1,2-a]quinoxaline
Inchi Key	AASFRXJJHSMTFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21FN4/c23-18-9-7-17(8-10-18)16-25-12-14-26(15-13-25)22-21-6-3-11-27(21)20-5-2-1-4-19(20)24-22/h1-11H,12-16H2
PubChem CID	10546440
ChEMBL	CHEMBL54125
IUPHAR	N/A
BindingDB	50408155
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	46773.5 nM	PMID9191957	BindingDB,ChEMBL

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