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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	CHEMBL88218
Molecular formula	C20H24N4O3
IUPAC name	N-cyclohexyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
Molecular weight	368.437
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.6
Synonyms	BDBM50000920 N-Cyclohexyl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide SCHEMBL10658515 N-Cyclohexyl-4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide AUZJVEDTLNZEHH-UHFFFAOYSA-N N-Cyclohexyl-4-[[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]quinolin)-7-yl]oxy]butyramide [ Show all ]
Inchi Key	AUZJVEDTLNZEHH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N4O3/c25-18(21-14-5-2-1-3-6-14)7-4-10-27-15-8-9-16-13(11-15)12-17-19(22-16)24-20(26)23-17/h8-9,11-12,14H,1-7,10H2,(H,21,25)(H2,22,23,24,26)
PubChem CID	9999105
ChEMBL	CHEMBL88218
IUPHAR	N/A
BindingDB	50000920
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	40.0 nM	PMID1321910	BindingDB,ChEMBL

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