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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

NameCHEMBL91987
Molecular formulaC25H31Cl2N3O3
IUPAC name(2S,5S)-2-[(S)-(3,4-dichlorophenyl)-hydroxymethyl]-N-[4-[(2,2-dimethylpropanoylamino)methyl]phenyl]-5-methylpyrrolidine-1-carboxamide
Molecular weight492.441
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.7
Synonyms(2S)-N-[4-(Pivaloylaminomethyl)phenyl]-2-[(alphaS)-alpha-hydroxy-3,4-dichlorobenzyl]-5alpha-methylpyrrolidine-1-carboxamide
BDBM50105336
(2S,5S)-2-[(S)-(3,4-Dichloro-phenyl)-hydroxy-methyl]-5-methyl-pyrrolidine-1-carboxylic acid {4-[(2,2-dimethyl-propionylamino)-methyl]-phenyl}-amide
Inchi KeyAKKRATICIYCKJJ-RXYZOABWSA-N
Inchi IDInChI=1S/C25H31Cl2N3O3/c1-15-5-12-21(22(31)17-8-11-19(26)20(27)13-17)30(15)24(33)29-18-9-6-16(7-10-18)14-28-23(32)25(2,3)4/h6-11,13,15,21-22,31H,5,12,14H2,1-4H3,(H,28,32)(H,29,33)/t15-,21-,22-/m0/s1
PubChem CID9805672
ChEMBLCHEMBL91987
IUPHARN/A
BindingDB50105336
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501000.0 nMPMID11591503BindingDB,ChEMBL

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