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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	CHEMBL568567
Molecular formula	C19H23F3N6O4S
IUPAC name	3-[[6-ethyl-4-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid
Molecular weight	488.486
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	2.0
Synonyms	3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl)ureido)propanoic acid BNUMOPVPBJTHOS-UHFFFAOYSA-N N-[({6-Ethyl-4-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl}amino)carbonyl]-beta-alanine SCHEMBL4922588 BDBM50302442
Inchi Key	BNUMOPVPBJTHOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)
PubChem CID	11950328
ChEMBL	CHEMBL568567
IUPHAR	N/A
BindingDB	50302442
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
Ki	172.0 nM	PMID19748783	BindingDB,ChEMBL
Ki	177.0 nM	PMID19748783	BindingDB,ChEMBL

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