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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3945945
Molecular formula	C25H22F2N6O2
IUPAC name	2-[6-[(E)-2-[(3R,4R,5S,7aS)-6,6-difluoro-3,5-dimethyl-1-oxo-7a-(tetrazol-1-yl)-3a,4,5,7-tetrahydro-3H-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile
Molecular weight	476.488
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM230696 US9340530, 30 US9340530, 31
Inchi Key	ASBBJHWLRMSCCK-SATMQZBVSA-N
Inchi ID	InChI=1S/C25H22F2N6O2/c1-15-20(10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28)22-16(2)35-23(34)24(22,13-25(15,26)27)33-14-30-31-32-33/h3-10,12,14-16,20,22H,13H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1
PubChem CID	127053964
ChEMBL	CHEMBL3945945
IUPHAR	N/A
BindingDB	230696
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	3.1 nM	, None	BindingDB,ChEMBL
IC50	6.4 nM	, None	BindingDB,ChEMBL

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