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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

NameCHEMBL199101
Molecular formulaC26H28FNO2
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(4-fluorophenyl)pyridin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight405.513
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.2
SynonymsBDBM50173443
(3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(4-Fluoro-phenyl)-pyridin-2-yl]-vinyl}-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
Inchi KeyBIMJRYUDZHNDRO-NWLSSWCYSA-N
Inchi IDInChI=1S/C26H28FNO2/c1-16-25-23(22-5-3-2-4-18(22)14-24(25)26(29)30-16)13-12-21-11-8-19(15-28-21)17-6-9-20(27)10-7-17/h6-13,15-16,18,22-25H,2-5,14H2,1H3/b13-12+/t16-,18+,22-,23+,24-,25+/m1/s1
PubChem CID11682882
ChEMBLCHEMBL199101
IUPHARN/A
BindingDB50173443
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50467.0 nMPMID16161991BindingDB,ChEMBL

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