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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Proteinase-activated receptor 1
Species	Homo sapiens (Human)
Gene	F2R
Synonym	Coagulation factor II receptor PAR-1 coagulation factor II (thrombin) receptor protease-activated receptor 1 Thrombin receptor PAR1 [ Show all ]
Disease	Thrombosis Restenosis Myocardial infarction Cancer Atherosclerosis Acute coronary syndrome [ Show all ]
Length	425
Amino acid sequence	MGPRRLLLVAACFSLCGPLLSARTRARRPESKATNATLDPRSFLLRNPNDKYEPFWEDEEKNESGLTEYRLVSINKSSPLQKQLPAFISEDASGYLTSSWLTLFVPSVYTGVFVVSLPLNIMAIVVFILKMKVKKPAVVYMLHLATADVLFVSVLPFKISYYFSGSDWQFGSELCRFVTAAFYCNMYASILLMTVISIDRFLAVVYPMQSLSWRTLGRASFTCLAIWALAIAGVVPLLLKEQTIQVPGLNITTCHDVLNETLLEGYYAYYFSAFSAVFFFVPLIISTVCYVSIIRCLSSSAVANRSKKSRALFLSAAVFCIFIICFGPTNVLLIAHYSFLSHTSTTEAAYFAYLLCVCVSSISCCIDPLIYYYASSECQRYVYSILCCKESSDPSSYNSSGQLMASKMDTCSSNLNNSIYKKLLT
UniProt	P25116
Protein Data Bank	3vw7
GPCR-HGmod model	P25116
3D structure model	This structure is from PDB ID 3vw7.
BioLiP	BL0217099
Therapeutic Target Database	T36483
ChEMBL	CHEMBL3974
IUPHAR	347
DrugBank	BE0000928

Ligand

Name	CHEMBL2049112
Molecular formula	C18H19BrN2O2
IUPAC name	2-bromo-N-[3-(butanoylamino)phenyl]-5-methylbenzamide
Molecular weight	375.266
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50386397 BRD-K77600652-001-01-9 SCHEMBL10069475
Inchi Key	BYKXADYBFGJVQU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19BrN2O2/c1-3-5-17(22)20-13-6-4-7-14(11-13)21-18(23)15-10-12(2)8-9-16(15)19/h4,6-11H,3,5H2,1-2H3,(H,20,22)(H,21,23)
PubChem CID	53245434
ChEMBL	CHEMBL2049112
IUPHAR	N/A
BindingDB	50386397
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	480.0 nM	PMID22408714	BindingDB,ChEMBL
Inhibition	<99.0 %	PMID22408714	ChEMBL

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