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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	CHEMBL63426
Molecular formula	C23H25N5
IUPAC name	3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Molecular weight	371.488
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BRD-K17140735-300-01-6 SCH-79797 3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine Tocris-1592 BCP21206 NCGC00025225-01 CHEBI:94998 Sch79797/Sch-79797 N3-Cyclopropyl-7-(4-isopropyl-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine ZINC1490299 BDBM50079751 NCGC00025225-02 SCHEMBL1760395 AC1N6FKN n3-cyclopropyl-7-[[4-(1-methylethyl)phenyl]methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine [ Show all ]
Inchi Key	AVXQPEKZIGPIJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)
PubChem CID	4259181
ChEMBL	CHEMBL63426
IUPHAR	N/A
BindingDB	50079751
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	56.0 nM	PMID25937878, PMID10450984	BindingDB,ChEMBL

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