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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	CHEMBL33377
Molecular formula	C27H35N11O4
IUPAC name	3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
Molecular weight	577.65
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	0.1
Synonyms	5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-phenyl-ethyl}-amide BDBM50077744
Inchi Key	AEIMKEWKIBUXFX-UFYCRDLUSA-N
Inchi ID	InChI=1S/C27H35N11O4/c28-21(39)19(14-16-8-3-1-4-9-16)34-23(40)18(12-7-13-32-26(29)30)33-24(41)20(15-17-10-5-2-6-11-17)35-25(42)22-36-27(31)38-37-22/h1-6,8-11,18-20H,7,12-15H2,(H2,28,39)(H,33,41)(H,34,40)(H,35,42)(H4,29,30,32)(H3,31,36,37,38)/t18-,19-,20-/m0/s1
PubChem CID	44280767
ChEMBL	CHEMBL33377
IUPHAR	N/A
BindingDB	50077744
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
EC50	1000.0 nM	PMID10360749	BindingDB,ChEMBL
IC50	2000.0 nM	PMID10360749	BindingDB,ChEMBL

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