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

NameCHEMBL411798
Molecular formulaC61H64FN15O11
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-3-(4-benzoylphenyl)-2-[[(2S)-3-[4-(diaminomethylideneamino)phenyl]-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanoic acid
Molecular weight1202.28
Hydrogen bond acceptor17
Hydrogen bond donor11
XlogP5.2
SynonymsN/A
Inchi KeyAMLDCGHYDNTFAE-PEOMNQJNSA-N
Inchi IDInChI=1S/C61H64FN15O11/c62-42-24-17-38(18-25-42)33-47(70-51(78)30-21-36-9-3-1-4-10-36)56(81)73-49(35-39-19-26-43(27-20-39)69-61(65)66)58(83)74-48(34-37-15-22-41(23-16-37)54(79)40-11-5-2-6-12-40)57(82)71-45(13-7-32-68-60(63)64)55(80)72-46(59(84)85)14-8-31-67-44-28-29-50(77(86)87)53-52(44)75-88-76-53/h1-6,9-12,15-30,45-49,67H,7-8,13-14,31-35H2,(H,70,78)(H,71,82)(H,72,80)(H,73,81)(H,74,83)(H,84,85)(H4,63,64,68)(H4,65,66,69)/b30-21+/t45-,46-,47-,48-,49-/m0/s1
PubChem CID136209460
ChEMBLCHEMBL411798
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5090000.0 nMPMID10021945ChEMBL

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