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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL2012501
Molecular formula	C26H31NO3
IUPAC name	(3R,3aR,4S,5R,6S,7aS)-5-ethyl-7a-hydroxy-3,6-dimethyl-4-[(E)-2-[5-(2-methylphenyl)pyridin-2-yl]ethenyl]-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
Molecular weight	405.538
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.4
Synonyms	BDBM50380015 SCHEMBL8274356
Inchi Key	ANMPHNUOGAIMAF-HVFJJDCMSA-N
Inchi ID	InChI=1S/C26H31NO3/c1-5-21-17(3)14-26(29)24(18(4)30-25(26)28)23(21)13-12-20-11-10-19(15-27-20)22-9-7-6-8-16(22)2/h6-13,15,17-18,21,23-24,29H,5,14H2,1-4H3/b13-12+/t17-,18+,21+,23-,24-,26-/m0/s1
PubChem CID	59110479
ChEMBL	CHEMBL2012501
IUPHAR	N/A
BindingDB	50380015
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	33.0 nM	PMID22405832	BindingDB,ChEMBL

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