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 DMFold 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

NameLysophosphatidic acid receptor 3
SpeciesHomo sapiens (Human)
GeneLPAR3
SynonymLysophosphatidic acid receptor Edg-7
LPA3 receptor
LPA-3
LPA receptor 3
endothelial differentiation gene 7, lysophosphatidic acid G-protein-coupled receptor 7
[ Show all ]
DiseaseFibrosis
Length353
Amino acid sequenceMNECHYDKHMDFFYNRSNTDTVDDWTGTKLVIVLCVGTFFCLFIFFSNSLVIAAVIKNRKFHFPFYYLLANLAAADFFAGIAYVFLMFNTGPVSKTLTVNRWFLRQGLLDSSLTASLTNLLVIAVERHMSIMRMRVHSNLTKKRVTLLILLVWAIAIFMGAVPTLGWNCLCNISACSSLAPIYSRSYLVFWTVSNLMAFLIMVVVYLRIYVYVKRKTNVLSPHTSGSISRRRTPMKLMKTVMTVLGAFVVCWTPGLVVLLLDGLNCRQCGVQHVKRWFLLLALLNSVVNPIIYSYKDEDMYGTMKKMICCFSQENPERRPSRIPSTVLSRSDTGSQYIEDSISQGAVCNKSTS
UniProtQ9UBY5
Protein Data BankN/A
GPCR-HGmod modelQ9UBY5
3D structure modelThis predicted structure model is from GPCR-EXP Q9UBY5.
BioLiPN/A
Therapeutic Target DatabaseT95923
ChEMBLCHEMBL3250
IUPHAR274
DrugBankN/A

Ligand

NameCHEMBL2182028
Molecular formulaC26H24N4O4
IUPAC name2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]acetic acid
Molecular weight456.502
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.6
SynonymsSCHEMBL16697998
Inchi KeyFFYAKASWZPHKKM-GOSISDBHSA-N
Inchi IDInChI=1S/C26H24N4O4/c1-17-25(27-26(33)34-18(2)20-6-4-3-5-7-20)30(29-28-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(31)32/h3-15,18H,16H2,1-2H3,(H,27,33)(H,31,32)/t18-/m1/s1
PubChem CID71462860
ChEMBLCHEMBL2182028
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
Inhibition3.0 %PMID22894757ChEMBL

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