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GPCR

NameProteinase-activated receptor 1
SpeciesHomo sapiens (Human)
GeneF2R
SynonymCoagulation factor II receptor
PAR-1
coagulation factor II (thrombin) receptor
protease-activated receptor 1
Thrombin receptor
[ Show all ]
DiseaseThrombosis
Restenosis
Myocardial infarction
Cancer
Atherosclerosis
[ 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

NameCHEMBL3091980
Molecular formulaC24H29FN2O2S
IUPAC nameN-[(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-N-methylmethanesulfonamide
Molecular weight428.566
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.2
SynonymsBDBM50443584
Inchi KeyBRSCNTKXIWSLQX-DKBLXCOBSA-N
Inchi IDInChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
PubChem CID72547307
ChEMBLCHEMBL3091980
IUPHARN/A
BindingDB50443584
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.3 nMPMID24900604BindingDB,ChEMBL
IC502.2 nMPMID24900604BindingDB,ChEMBL
IC5097.0 nMPMID24900604BindingDB,ChEMBL

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