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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

NameCHEMBL383606
Molecular formulaC29H33NO4
IUPAC nameethyl 2-[6-[(E)-2-[(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl]ethenyl]pyridin-3-yl]benzoate
Molecular weight459.586
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.3
SynonymsBDBM50173434
2-{6-[(E)-2-((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-1-oxo-dodecahydro-naphtho[2,3-c]furan-4-yl)-vinyl]-pyridin-3-yl}-benzoic acid ethyl ester
Inchi KeyBVECYDMQNJEAAT-XXODKWSMSA-N
Inchi IDInChI=1S/C29H33NO4/c1-3-33-28(31)25-11-7-6-10-23(25)20-12-13-21(30-17-20)14-15-24-22-9-5-4-8-19(22)16-26-27(24)18(2)34-29(26)32/h6-7,10-15,17-19,22,24,26-27H,3-5,8-9,16H2,1-2H3/b15-14+/t18-,19+,22-,24+,26-,27+/m1/s1
PubChem CID11691128
ChEMBLCHEMBL383606
IUPHARN/A
BindingDB50173434
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5044.0 nMPMID16161991BindingDB,ChEMBL

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