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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL108604
Molecular formula	C29H33N3O
IUPAC name	N-[3-(azepan-1-yl)propyl]-N-(naphthalen-1-ylmethyl)-3-phenyl-1,2-oxazol-5-amine
Molecular weight	439.603
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.8
Synonyms	BDBM50109076 N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1-naphthylmethyl)-3-phenylisoxazole-5-amine (3-Azepan-1-yl-propyl)-naphthalen-1-ylmethyl-(3-phenyl-isoxazol-5-yl)-amine
Inchi Key	BZEDPXCOJQWJKA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H33N3O/c1-2-9-19-31(18-8-1)20-11-21-32(23-26-16-10-15-24-12-6-7-17-27(24)26)29-22-28(30-33-29)25-13-4-3-5-14-25/h3-7,10,12-17,22H,1-2,8-9,11,18-21,23H2
PubChem CID	44338864
ChEMBL	CHEMBL108604
IUPHAR	N/A
BindingDB	50109076
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	360.0 nM	PMID11814787	BindingDB,ChEMBL

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