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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	CHEMBL111258
Molecular formula	C27H33N3O3
IUPAC name	N-[3-(azepan-1-yl)propyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
Molecular weight	447.579
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.8
Synonyms	BDBM50109063 N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1,3-benzodioxole-5-ylmethyl)-3-(4-methylphenyl)isoxazole-5-amine (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-(3-p-tolyl-isoxazol-5-yl)-amine
Inchi Key	CDYMXRUWHVBUKR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H33N3O3/c1-21-7-10-23(11-8-21)24-18-27(33-28-24)30(16-6-15-29-13-4-2-3-5-14-29)19-22-9-12-25-26(17-22)32-20-31-25/h7-12,17-18H,2-6,13-16,19-20H2,1H3
PubChem CID	44339002
ChEMBL	CHEMBL111258
IUPHAR	N/A
BindingDB	50109063
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	140.0 nM	PMID11814787	BindingDB,ChEMBL
IC50	290.0 nM	PMID11814787	BindingDB,ChEMBL
IC50	3200.0 nM	PMID11814787	BindingDB,ChEMBL

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