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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3325629
Molecular formula	C29H33N5O3
IUPAC name	N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]-5,6-dimethylindole-3-carboxamide
Molecular weight	499.615
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM50100315
Inchi Key	VUMJXVLBMLBKSZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H33N5O3/c1-7-8-27(35)24-15-30-34(20(24)4)22-11-9-21(10-12-22)31-29(37)25-16-33(17-28(36)32(5)6)26-14-19(3)18(2)13-23(25)26/h9-16H,7-8,17H2,1-6H3,(H,31,37)
PubChem CID	118711067
ChEMBL	CHEMBL3325629
IUPHAR	N/A
BindingDB	50100315
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	31.0 nM	PMID25075638	BindingDB,ChEMBL
IC50	800.0 nM	PMID25075638	BindingDB,ChEMBL

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