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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.
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GPCR

Name	P2Y purinoceptor 12
Species	Homo sapiens (Human)
Gene	P2RY12
Synonym	P2Y12 platelet ADP receptor P2Y12 receptor P2YADP purinergic receptor P2Y P2Y12 P2Y(cyc) P2Y(ADP) P2Y(AC) P2Y purinoceptor 12 P2T(AC) HORK3 ADPG-R ADP-glucose receptor SP1999 [ Show all ]
Disease	N/A
Length	342
Amino acid sequence	MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProt	Q9H244
Protein Data Bank	4py0, 4pxz, 4ntj
GPCR-HGmod model	Q9H244
3D structure model	This structure is from PDB ID 4py0.
BioLiP	BL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2001
IUPHAR	328
DrugBank	BE0000110

Ligand

Name	CHEMBL91899
Molecular formula	C14H15N3O3
IUPAC name	7-(2-ethoxyethoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
Molecular weight	273.292
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.4
Synonyms	BJHINFNFMZFKMO-UHFFFAOYSA-N SCHEMBL10655655 1,3-Dihydro-7-[2-ethoxyethoxy]-2H-imidazo[4,5-b]quinolin-2-one 7-(2-Ethoxyethoxy)-1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-one BDBM50000926 7-(2-Ethoxy-ethoxy)-1,3-dihydro-imidazo[4,5-b]quinolin-2-one(HCl) [ Show all ]
Inchi Key	BJHINFNFMZFKMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15N3O3/c1-2-19-5-6-20-10-3-4-11-9(7-10)8-12-13(15-11)17-14(18)16-12/h3-4,7-8H,2,5-6H2,1H3,(H2,15,16,17,18)
PubChem CID	14281031
ChEMBL	CHEMBL91899
IUPHAR	N/A
BindingDB	50000926
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	4840.0 nM	PMID1321910	BindingDB,ChEMBL

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