Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

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

NameCHEMBL3909563
Molecular formulaC25H23ClF2N2O2
IUPAC name2-[(1R,3aR,6S,7R)-7-[(E)-2-[5-(2-chlorophenyl)pyridin-2-yl]ethenyl]-5,5-difluoro-1,6-dimethyl-3-oxo-4,6,7,7a-tetrahydro-1H-2-benzofuran-3a-yl]acetonitrile
Molecular weight456.918
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM230691
US9340530, 25
Inchi KeyBFIIOBKKPXNIRP-NMPKDNOQSA-N
Inchi IDInChI=1S/C25H23ClF2N2O2/c1-15-19(22-16(2)32-23(31)24(22,11-12-29)14-25(15,27)28)10-9-18-8-7-17(13-30-18)20-5-3-4-6-21(20)26/h3-10,13,15-16,19,22H,11,14H2,1-2H3/b10-9+/t15-,16+,19-,22?,24+/m0/s1
PubChem CID127053959
ChEMBLCHEMBL3909563
IUPHARN/A
BindingDB230691
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.3 nM, NoneBindingDB,ChEMBL

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218