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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

NameCHEMBL144504
Molecular formulaC36H48FN11O5S
IUPAC nameN-[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
Molecular weight765.91
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP1.7
SynonymsThiophene-2-carboxylic acid [1-[1-[1-(1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(4-guanidino-phenyl)-ethylcarbamoyl]-2-(4-fluoro-phenyl)-ethyl]-amide
BDBM50054858
Inchi KeyATWPMNBULMFRAH-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H48FN11O5S/c1-20(2)17-26(31(50)45-25(30(38)49)5-3-15-43-35(39)40)46-32(51)27(19-22-9-13-24(14-10-22)44-36(41)42)47-33(52)28(18-21-7-11-23(37)12-8-21)48-34(53)29-6-4-16-54-29/h4,6-14,16,20,25-28H,3,5,15,17-19H2,1-2H3,(H2,38,49)(H,45,50)(H,46,51)(H,47,52)(H,48,53)(H4,39,40,43)(H4,41,42,44)
PubChem CID44363433
ChEMBLN/A
IUPHARN/A
BindingDB50054858
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50100.0 nMPMID8960546BindingDB
IC5025.0 nMPMID8960546BindingDB

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