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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	CHEMBL98231
Molecular formula	C30H42N4O2
IUPAC name	1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
Molecular weight	490.692
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.3
Synonyms	SCHEMBL12393182 BDBM50105704 1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-3-(2-piperidin-1-yl-ethyl)-2,3-dihydro-benzoimidazol-1-yl]-ethanone MolPort-003-812-012 AC1LKP0U ZINC8691861 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone Oprea1_070307 alpha-[2-Imino-3-(2-piperidinoethyl)-2,3-dihydro-1H-benzimidazole-1-yl]-3',5'-di-tert-butyl-4'-hydroxyacetophenone [ Show all ]
Inchi Key	AVEDPTZUFCVDIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H42N4O2/c1-29(2,3)22-18-21(19-23(27(22)36)30(4,5)6)26(35)20-34-25-13-9-8-12-24(25)33(28(34)31)17-16-32-14-10-7-11-15-32/h8-9,12-13,18-19,31,36H,7,10-11,14-17,20H2,1-6H3
PubChem CID	1047178
ChEMBL	CHEMBL98231
IUPHAR	N/A
BindingDB	50105704
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	2866.0 nM	PMID11597414	BindingDB,ChEMBL

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