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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

NameCHEMBL3109584
Molecular formulaC30H35FN2O3
IUPAC nameN-[[(1R,3aR,4aS,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]methyl]propanamide
Molecular weight490.619
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50446338
Inchi KeyBUSFETYTWADDLF-MOGHIBBESA-N
Inchi IDInChI=1S/C30H35FN2O3/c1-3-28(34)33-16-19-7-11-25-22(13-19)15-27-29(18(2)36-30(27)35)26(25)12-10-24-9-8-21(17-32-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-27,29H,3,7,11,13,15-16H2,1-2H3,(H,33,34)/b12-10+/t18-,19-,22+,25-,26+,27-,29+/m1/s1
PubChem CID76317514
ChEMBLCHEMBL3109584
IUPHARN/A
BindingDB50446338
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki12.5 nMPMID24900795ChEMBL
Ki13.0 nMPMID24900795BindingDB

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