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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

NameCHEMBL307065
Molecular formulaC25H33N3O4
IUPAC name(3S)-5-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]pent-4-ynoic acid
Molecular weight439.556
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-0.8
SynonymsBDBM50083467
(S)-5-Phenyl-3-{[(R)-1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-pent-4-ynoic acid
Inchi KeyAFEBUYQIVROWSL-FGZHOGPDSA-N
Inchi IDInChI=1S/C25H33N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-21(18-28)25(32)27-22(17-24(30)31)10-8-19-5-2-1-3-6-19/h1-3,5-6,20-22,26H,4,7,9,11-18H2,(H,27,32)(H,30,31)/t21-,22-/m1/s1
PubChem CID10741717
ChEMBLCHEMBL307065
IUPHARN/A
BindingDB50083467
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5080.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:20:2371BindingDB,ChEMBL

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