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:

Ligand

NameCHEMBL257495
Molecular formulaC21H15N2O6S-
IUPAC name1-amino-4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight423.419
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50336767
L-144450
sodium 1-amino-4-(2-methoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Inchi KeyWCRXWKFBJBYISN-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
PubChem CID59448190
ChEMBLN/A
IUPHARN/A
BindingDB50336767
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
370182P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
370183P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
370181P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
370184P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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