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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	CHEMBL64383
Molecular formula	C22H30N2O4
IUPAC name	7-[2-(azepan-1-yl)ethoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
Molecular weight	386.492
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.1
Synonyms	2-Morpholino-7-[[2-(1-azacycloheptan-1-yl)ethyl]oxy]-8-methyl-4H-1-benzopyran-4-one BDBM50044204 SCHEMBL9533901 7-(2-Azepan-1-yl-ethoxy)-8-methyl-2-morpholin-4-yl-chromen-4-one
Inchi Key	BDASRWPCTUFLKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N2O4/c1-17-20(27-15-10-23-8-4-2-3-5-9-23)7-6-18-19(25)16-21(28-22(17)18)24-11-13-26-14-12-24/h6-7,16H,2-5,8-15H2,1H3
PubChem CID	15650875
ChEMBL	CHEMBL64383
IUPHAR	N/A
BindingDB	50044204
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	3000.0 nM	PMID8336341	BindingDB,ChEMBL

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