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GLASS

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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	CHEMBL3143253
Molecular formula	C43H54FN9O7
IUPAC name	(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-7-amino-3-oxoheptanamide
Molecular weight	827.959
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	2.5
Synonyms	N/A
Inchi Key	AXHJYYHVIYNCRB-KOAZTLLZSA-N
Inchi ID	InChI=1S/C43H54FN9O7/c1-26(2)22-34(40(58)50-33(10-7-21-45)37(55)25-38(46)56)51-41(59)35(23-29-13-18-32(19-14-29)49-43(47)48)52-42(60)36(24-30-11-16-31(44)17-12-30)53(27(3)54)39(57)20-15-28-8-5-4-6-9-28/h4-6,8-9,11-20,26,33-36H,7,10,21-25,45H2,1-3H3,(H2,46,56)(H,50,58)(H,51,59)(H,52,60)(H4,47,48,49)/b20-15+/t33-,34-,35-,36-/m0/s1
PubChem CID	90663294
ChEMBL	CHEMBL3143253
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	44.0 nM	PMID8960546	ChEMBL
IC50	250.0 nM	PMID8960546	ChEMBL

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