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GLASS

You can:

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	CHEMBL3288129
Molecular formula	C24H27ClN4O4S
IUPAC name	1-(5-butanoyl-3-cyano-6-methylpyridin-2-yl)-N-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
Molecular weight	503.014
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50019021 SCHEMBL3226279
Inchi Key	AIEZQZWTYKTYFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27ClN4O4S/c1-3-4-22(30)21-13-19(14-26)23(27-16(21)2)29-11-9-18(10-12-29)24(31)28-34(32,33)15-17-5-7-20(25)8-6-17/h5-8,13,18H,3-4,9-12,15H2,1-2H3,(H,28,31)
PubChem CID	44608149
ChEMBL	CHEMBL3288129
IUPHAR	N/A
BindingDB	50019021
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	57.0 nM	PMID24835983	BindingDB,ChEMBL
IC50	10500.0 nM	PMID24835983	BindingDB,ChEMBL

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