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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

NameCHEMBL98231
Molecular formulaC30H42N4O2
IUPAC name1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
Molecular weight490.692
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.3
Synonymsalpha-[2-Imino-3-(2-piperidinoethyl)-2,3-dihydro-1H-benzimidazole-1-yl]-3',5'-di-tert-butyl-4'-hydroxyacetophenone
SCHEMBL12393182
BDBM50105704
1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-3-(2-piperidin-1-yl-ethyl)-2,3-dihydro-benzoimidazol-1-yl]-ethanone
MolPort-003-812-012
[ Show all ]
Inchi KeyAVEDPTZUFCVDIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H42N4O2/c1-29(2,3)22-18-21(19-23(27(22)36)30(4,5)6)26(35)20-34-25-13-9-8-12-24(25)33(28(34)31)17-16-32-14-10-7-11-15-32/h8-9,12-13,18-19,31,36H,7,10-11,14-17,20H2,1-6H3
PubChem CID1047178
ChEMBLCHEMBL98231
IUPHARN/A
BindingDB50105704
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502866.0 nMPMID11597414BindingDB,ChEMBL

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