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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

NameCHEMBL232120
Molecular formulaC18H21NO2S
IUPAC name(1R,3aR,8aS,9S,9aS)-1-methyl-9-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-3a,5,6,7,8,8a,9,9a-octahydro-1H-benzo[f][2]benzofuran-3-one
Molecular weight315.431
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsN/A
Inchi KeyBCYOQHCWSXARSU-GDOYCUJJSA-N
Inchi IDInChI=1S/C18H21NO2S/c1-11-17-14(6-7-16-19-8-9-22-16)13-5-3-2-4-12(13)10-15(17)18(20)21-11/h6-11,13-15,17H,2-5H2,1H3/b7-6+/t11-,13-,14+,15-,17+/m1/s1
PubChem CID44432701
ChEMBLCHEMBL232120
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition14.0 %PMID17574850ChEMBL

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