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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	CHEMBL197791
Molecular formula	C22H29NO2
IUPAC name	(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-ethylpyridin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight	339.479
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.3
Synonyms	SCHEMBL6624188 (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Ethyl-pyridin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one (3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-yl)vinyl)-3-methyl-decahydronaphtho[2,3-c]furan-1(3H)-one BDBM50173417
Inchi Key	BIPJMTJKFWKTPB-BLORVFSFSA-N
Inchi ID	InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m1/s1
PubChem CID	10246587
ChEMBL	CHEMBL197791
IUPHAR	N/A
BindingDB	50173417
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	20.0 nM	PMID16161991	BindingDB,ChEMBL
IC50	70.0 nM	PMID16161991	BindingDB,ChEMBL
IC50	85.0 nM	PMID16161991, PMID16824760	BindingDB,ChEMBL
Ki	12.0 nM	PMID16161991	BindingDB,ChEMBL

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