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	PSB-716
Molecular formula	C21H15N2NaO6S
IUPAC name	sodium;1-amino-4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight	446.409
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	None
Synonyms	CHEMBL257495 EINECS 278-930-3 78510-27-7 Sodium 1-amino-4-o-methoxyanilino-9,10-dihydro-9,10-dioxoanthracene-2-sulfonate D0UC4G Sodium 1-amino-4-o-methoxyanilino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate DTXSID00229133 1-Amino-2-(sodiooxysulfonyl)-4-(2-methoxyphenylamino)-9,10-anthraquinone SCHEMBL790524 [ Show all ]
Inchi Key	REACUBXXZFBLMO-UHFFFAOYSA-M
Inchi ID	InChI=1S/C21H16N2O6S.Na/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);/q;+1/p-1
PubChem CID	25090818
ChEMBL	CHEMBL257495
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

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
293876	P2Y purinoceptor 2	P35383	P2ry2	Mus musculus (Mouse)	373
293878	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377
293875	P2Y purinoceptor 4	P51582	P2RY4	Homo sapiens (Human)	365
293877	P2Y purinoceptor 6	Q63371	P2ry6	Rattus norvegicus (Rat)	328

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