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	CHEMBL178863
Molecular formula	C15H14N4O5
IUPAC name	diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate
Molecular weight	330.3
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.2
Synonyms	BDBM50178645 diethyl 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2,5-dicarboxylate
Inchi Key	CJMOFNWHVBBDDW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14N4O5/c1-3-23-14(21)11-16-12-13(20)18(15(22)24-4-2)9-7-5-6-8-10(9)19(12)17-11/h5-8H,3-4H2,1-2H3
PubChem CID	11493648
ChEMBL	CHEMBL178863
IUPHAR	N/A
BindingDB	50178645
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
43498	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
43500	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
43497	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
43499	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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