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GPCR

NameProteinase-activated receptor 1
SpeciesHomo sapiens (Human)
GeneF2R
SynonymPAR-1
coagulation factor II (thrombin) receptor
Coagulation factor II receptor
PAR1
protease-activated receptor 1
[ Show all ]
DiseaseRestenosis
Acute coronary syndrome
Atherosclerosis
Cancer
Myocardial infarction
[ Show all ]
Length425
Amino acid sequenceMGPRRLLLVAACFSLCGPLLSARTRARRPESKATNATLDPRSFLLRNPNDKYEPFWEDEEKNESGLTEYRLVSINKSSPLQKQLPAFISEDASGYLTSSWLTLFVPSVYTGVFVVSLPLNIMAIVVFILKMKVKKPAVVYMLHLATADVLFVSVLPFKISYYFSGSDWQFGSELCRFVTAAFYCNMYASILLMTVISIDRFLAVVYPMQSLSWRTLGRASFTCLAIWALAIAGVVPLLLKEQTIQVPGLNITTCHDVLNETLLEGYYAYYFSAFSAVFFFVPLIISTVCYVSIIRCLSSSAVANRSKKSRALFLSAAVFCIFIICFGPTNVLLIAHYSFLSHTSTTEAAYFAYLLCVCVSSISCCIDPLIYYYASSECQRYVYSILCCKESSDPSSYNSSGQLMASKMDTCSSNLNNSIYKKLLT
UniProtP25116
Protein Data Bank3vw7
GPCR-HGmod modelP25116
3D structure modelThis structure is from PDB ID 3vw7.
BioLiPBL0217099
Therapeutic Target DatabaseT36483
ChEMBLCHEMBL3974
IUPHAR347
DrugBankBE0000928

Ligand

NameCHEMBL269006
Molecular formulaC25H19F2NO2
IUPAC name(3aR,4R,9aS)-6-fluoro-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight403.429
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50212430
(3aR,4R,9aS,E)-6-fluoro-4-(2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
Inchi KeyBEWNXUIFEFYIAT-TVUVQBGUSA-N
Inchi IDInChI=1S/C25H19F2NO2/c26-18-3-1-2-15(10-18)17-5-7-20(28-13-17)8-9-21-22-12-19(27)6-4-16(22)11-23-24(21)14-30-25(23)29/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PubChem CID44432790
ChEMBLCHEMBL269006
IUPHARN/A
BindingDB50212430
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5010.0 nMPMID17490877BindingDB,ChEMBL

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