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 4
SpeciesHomo sapiens (Human)
GeneF2RL3
Synonymprotease-activated receptor 4
PAR4
PAR-4
F2R like thrombin/trypsin receptor 3
coagulation factor II receptor-like 3
[ Show all ]
DiseaseN/A
Length385
Amino acid sequenceMWGRLLLWPLVLGFSLSGGTQTPSVYDESGSTGGGDDSTPSILPAPRGYPGQVCANDSDTLELPDSSRALLLGWVPTRLVPALYGLVLVVGLPANGLALWVLATQAPRLPSTMLLMNLAAADLLLALALPPRIAYHLRGQRWPFGEAACRLATAALYGHMYGSVLLLAAVSLDRYLALVHPLRARALRGRRLALGLCMAAWLMAAALALPLTLQRQTFRLARSDRVLCHDALPLDAQASHWQPAFTCLALLGCFLPLLAMLLCYGATLHTLAASGRRYGHALRLTAVVLASAVAFFVPSNLLLLLHYSDPSPSAWGNLYGAYVPSLALSTLNSCVDPFIYYYVSAEFRDKVRAGLFQRSPGDTVASKASAEGGSRGMGTHSSLLQ
UniProtQ96RI0
Protein Data BankN/A
GPCR-HGmod modelQ96RI0
3D structure modelThis predicted structure model is from GPCR-EXP Q96RI0.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4691
IUPHAR350
DrugBankN/A

Ligand

NameCHEMBL3334899
Molecular formulaC24H21F3N2O4S
IUPAC name[3-(6-methoxypyridin-3-yl)-5-methylsulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
Molecular weight490.497
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsSCHEMBL17616310
Inchi KeyBVIFZQSTLISWHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21F3N2O4S/c1-33-22-9-6-16(12-28-22)23-19-11-18(34(2,31)32)7-8-20(19)29(21(23)14-30)13-15-4-3-5-17(10-15)24(25,26)27/h3-12,30H,13-14H2,1-2H3
PubChem CID118714111
ChEMBLCHEMBL3334899
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
%max89.0 %PMID25176330ChEMBL

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