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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

NameCHEMBL2049112
Molecular formulaC18H19BrN2O2
IUPAC name2-bromo-N-[3-(butanoylamino)phenyl]-5-methylbenzamide
Molecular weight375.266
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL10069475
BDBM50386397
BRD-K77600652-001-01-9
Inchi KeyBYKXADYBFGJVQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19BrN2O2/c1-3-5-17(22)20-13-6-4-7-14(11-13)21-18(23)15-10-12(2)8-9-16(15)19/h4,6-11H,3,5H2,1-2H3,(H,20,22)(H,21,23)
PubChem CID53245434
ChEMBLCHEMBL2049112
IUPHARN/A
BindingDB50386397
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50480.0 nMPMID22408714BindingDB,ChEMBL
Inhibition<99.0 %PMID22408714ChEMBL

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