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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	CHEMBL2048428
Molecular formula	C17H17N3O4
IUPAC name	N-[3-(butanoylamino)phenyl]-3-nitrobenzamide
Molecular weight	327.34
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.6
Synonyms	AKOS003531491 BRD-K65412348-001-01-3
Inchi Key	ALSFDYQXTPQLBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17N3O4/c1-2-5-16(21)18-13-7-4-8-14(11-13)19-17(22)12-6-3-9-15(10-12)20(23)24/h3-4,6-11H,2,5H2,1H3,(H,18,21)(H,19,22)
PubChem CID	17187536
ChEMBL	CHEMBL2048428
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	55.0 %	PMID22408714	ChEMBL

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