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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	CHEMBL3143281
Molecular formula	C48H65F2N15O7
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
Molecular weight	1002.14
Hydrogen bond acceptor	12
Hydrogen bond donor	11
XlogP	0.7
Synonyms	N/A
Inchi Key	BWMRBTPHIRCUQQ-NABVGGPWSA-N
Inchi ID	InChI=1S/C48H65F2N15O7/c1-27(2)24-37(43(70)62-36(7-5-23-59-47(54)55)42(69)61-35(41(51)68)6-4-22-58-46(52)53)63-44(71)38(25-30-12-19-34(20-13-30)60-48(56)57)64-45(72)39(26-31-10-17-33(50)18-11-31)65(28(3)66)40(67)21-14-29-8-15-32(49)16-9-29/h8-21,27,35-39H,4-7,22-26H2,1-3H3,(H2,51,68)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/b21-14+/t35-,36-,37-,38-,39-/m0/s1
PubChem CID	90663319
ChEMBL	CHEMBL3143281
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 has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	19.0 nM	PMID8960546	ChEMBL
IC50	50.0 nM	PMID8960546	ChEMBL

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