Zhang Lab

University of Michigan

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	STK010162
Molecular formula	C22H12N2O9
IUPAC name	5-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid
Molecular weight	448.343
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	2.9
Synonyms	5-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid SMSF0005081 AKOS000638328 DTXSID10367954 5-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylic acid CB13747 Oprea1_228597 5233-13-6 CHEMBL603414 BAS 00332794 MCULE-7915730516 5-[5-(3-nitrophenoxy)-1,3-dioxo-isoindol-2-yl]benzene-1,3-dicarboxylic acid CBMicro_014889 Oprea1_583433 AC1M4E64 CTK1H0404 ZINC3144209 5-[5-(3-Nitro-phenoxy)-1,3-dioxo-1,3-dihydro-isoindol-2-yl]-isophthalic acid BIM-0014746.P001 MolPort-001-024-867 [ Show all ]
Inchi Key	WXVRJSMFWYUKFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H12N2O9/c25-19-17-5-4-16(33-15-3-1-2-13(9-15)24(31)32)10-18(17)20(26)23(19)14-7-11(21(27)28)6-12(8-14)22(29)30/h1-10H,(H,27,28)(H,29,30)
PubChem CID	2306021
ChEMBL	CHEMBL603414
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
385037	Lysophosphatidic acid receptor 5	Q9H1C0	LPAR5	Homo sapiens (Human)	372

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