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

NameLysophosphatidic acid receptor 1
SpeciesHomo sapiens (Human)
GeneLPAR1
SynonymLPA-1
lysophosphatidic acid receptor Edg-2
endothelial differentiation gene 2, lysophosphatidic acid G-protein-coupled receptor, 2
VZG1
Lysophosphatidic acid receptor Edg-2 {ECO:0000303|PubMed:9070858}
[ Show all ]
DiseaseIdiopathic pulmonary fibrosis
Length364
Amino acid sequenceMAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV
UniProtQ92633
Protein Data Bank4z34, 4z35, 4z36
GPCR-HGmod modelQ92633
3D structure modelThis structure is from PDB ID 4z34.
BioLiPBL0315556, BL0315553, BL0315555, BL0315558, BL0315554, BL0315557
Therapeutic Target DatabaseT92640
ChEMBLCHEMBL3819
IUPHAR272
DrugBankN/A

Ligand

Name36840-10-5
Molecular formulaC20H16N2O6
IUPAC name(E)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoic acid
Molecular weight380.356
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.4
Synonyms(2E,2'E)-4,4'-(biphenyl-4,4'-diyldiimino)bis(4-oxobut-2-enoic acid)
(E)-4-[4-[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoic acid
2545AJ
3-[4''-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acid
3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acid
[ Show all ]
Inchi KeyFTLRWRKPUWMOMS-WGDLNXRISA-N
Inchi IDInChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
PubChem CID1105689
ChEMBLCHEMBL482497
IUPHARN/A
BindingDB50271764
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Imax59.0 %PMID18467108ChEMBL

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