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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	CHEMBL2172131
Molecular formula	C34H46N8O8
IUPAC name	ethyl 4-[(2S)-4-acetamido-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]butanoyl]piperazine-1-carboxylate
Molecular weight	694.79
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	1.4
Synonyms	SCHEMBL954442 APIFTIXALFFAGR-XCZPVHLTSA-N 4-[(S)-4-Acetylamino-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid ethyl ester BDBM50397154
Inchi Key	APIFTIXALFFAGR-XCZPVHLTSA-N
Inchi ID	InChI=1S/C34H46N8O8/c1-3-49-34(48)40-19-17-39(18-20-40)33(47)26(14-15-35-23(2)43)37-31(45)27-21-30(42(38-27)25-11-5-4-6-12-25)50-22-29(44)41-16-8-13-28(41)32(46)36-24-9-7-10-24/h4-6,11-12,21,24,26,28H,3,7-10,13-20,22H2,1-2H3,(H,35,43)(H,36,46)(H,37,45)/t26-,28-/m0/s1
PubChem CID	44128900
ChEMBL	CHEMBL2172131
IUPHAR	N/A
BindingDB	50397154
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	42.0 nM	PMID22984835	BindingDB,ChEMBL

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