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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

NameCHEMBL287469
Molecular formulaC24H39N13O4
IUPAC name3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
Molecular weight573.663
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-0.6
Synonyms5-Amino-1H-[1,2,4]triazole-3-carboxylic acid ((S)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-cyclohexyl-ethyl)-amide
BDBM50077739
Inchi KeyAJPUJSNLKAYBTL-ULQDDVLXSA-N
Inchi IDInChI=1S/C24H39N13O4/c25-18(38)16(10-14-11-29-12-31-14)33-20(39)15(7-4-8-30-23(26)27)32-21(40)17(9-13-5-2-1-3-6-13)34-22(41)19-35-24(28)37-36-19/h11-13,15-17H,1-10H2,(H2,25,38)(H,29,31)(H,32,40)(H,33,39)(H,34,41)(H4,26,27,30)(H3,28,35,36,37)/t15-,16-,17-/m0/s1
PubChem CID44280835
ChEMBLCHEMBL287469
IUPHARN/A
BindingDB50077739
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
IC5027000.0 nMPMID10360749BindingDB,ChEMBL
Inhibition>20.0 %PMID10360749ChEMBL

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