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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	Rattus norvegicus (Rat)
Gene	P2ry12
Synonym	purinergic receptor P2Y P2YADP P2Y12 receptor P2Y12 platelet ADP receptor P2Y12 P2Y purinoceptor 12 HORK3 SP1999 [ Show all ]
Disease	N/A for non-human GPCRs
Length	343
Amino acid sequence	MEVPGANATSANTTSIPGTSTLCSRDYKITQVLFPLLYTVLFFAGLITNSLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGAGHLRTLVCQVTSVTFYFTMYISISFLGLITIDRYLKTTRPFKTSSPSNLLGAKILSVAIWAFMFLLSLPNMILTNRRPKDKDITKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYSLITKELYRSYVRTRGSAKAPKKRVNIKVFIIIAVFFICFVPFHFARIPYTLSQTRAVFDCNAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLMSMLRCSTSGANKKKGQEGGDPSEETPM
UniProt	Q9EPX4
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2188
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3325666
Molecular formula	C32H38N6O3
IUPAC name	N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(3,4-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide
Molecular weight	554.695
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50055822
Inchi Key	PGESQWKNQQUBOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H38N6O3/c1-6-7-30(39)27-17-33-38(23(27)4)25-11-9-24(10-12-25)34-32(41)28-19-37(29-13-8-21(2)16-26(28)29)20-31(40)36-15-14-35(5)22(3)18-36/h8-13,16-17,19,22H,6-7,14-15,18,20H2,1-5H3,(H,34,41)
PubChem CID	118711102
ChEMBL	CHEMBL3325666
IUPHAR	N/A
BindingDB	50055822
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	400.0 nM	PMID25075638	BindingDB,ChEMBL

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