Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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

NameCHEMBL3945945
Molecular formulaC25H22F2N6O2
IUPAC name2-[6-[(E)-2-[(3R,4R,5S,7aS)-6,6-difluoro-3,5-dimethyl-1-oxo-7a-(tetrazol-1-yl)-3a,4,5,7-tetrahydro-3H-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile
Molecular weight476.488
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.2
SynonymsUS9340530, 31
BDBM230696
US9340530, 30
Inchi KeyASBBJHWLRMSCCK-SATMQZBVSA-N
Inchi IDInChI=1S/C25H22F2N6O2/c1-15-20(10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28)22-16(2)35-23(34)24(22,13-25(15,26)27)33-14-30-31-32-33/h3-10,12,14-16,20,22H,13H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1
PubChem CID127053964
ChEMBLCHEMBL3945945
IUPHARN/A
BindingDB230696
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.1 nM, NoneBindingDB,ChEMBL
IC506.4 nM, NoneBindingDB,ChEMBL

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