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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

NameCHEMBL3924976
Molecular formulaC29H33F2N3O2
IUPAC name2-[6-[(E)-2-[(3R,3aS,4R,5S,7aS)-7a-(2,2-dimethylpropylamino)-6,6-difluoro-3,5-dimethyl-1-oxo-3a,4,5,7-tetrahydro-3H-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile
Molecular weight493.599
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM230716
US9340530, 51
Inchi KeyBSXLJZAECXQNKG-TYMWWQAPSA-N
Inchi IDInChI=1S/C29H33F2N3O2/c1-18-23(13-12-22-11-10-21(15-33-22)24-9-7-6-8-20(24)14-32)25-19(2)36-26(35)28(25,16-29(18,30)31)34-17-27(3,4)5/h6-13,15,18-19,23,25,34H,16-17H2,1-5H3/b13-12+/t18-,19+,23-,25-,28-/m0/s1
PubChem CID71736052
ChEMBLCHEMBL3924976
IUPHARN/A
BindingDB230716
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5010.2 nM, NoneBindingDB,ChEMBL

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