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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	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	CHEMBL1784205
Molecular formula	C20H23ClN4O3
IUPAC name	ethyl 5-chloro-6-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate
Molecular weight	402.879
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	ethyl 5-chloro-6-(4-{[(3-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate SCHEMBL3928692 BDBM50345319 ZINC71295521 BJORQEIIUZIBIY-UHFFFAOYSA-N
Inchi Key	BJORQEIIUZIBIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-17(21)18(22-13-15)24-7-9-25(10-8-24)20(27)23-16-6-4-5-14(2)11-16/h4-6,11-13H,3,7-10H2,1-2H3,(H,23,27)
PubChem CID	24751850
ChEMBL	CHEMBL1784205
IUPHAR	N/A
BindingDB	50345319
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	240.0 nM	PMID21507636	BindingDB,ChEMBL
IC50	420.0 nM	PMID21507636	BindingDB,ChEMBL

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