Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->

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 ●StarFunc ●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	CHEMBL3628115
Molecular formula	C19H12ClN3O4
IUPAC name	N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide
Molecular weight	381.772
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM50127993
Inchi Key	CVGSBYQJDYXQRK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24)
PubChem CID	122193179
ChEMBL	CHEMBL3628115
IUPHAR	N/A
BindingDB	50127993
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
469258	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
469259	Metabotropic glutamate receptor 1	P23385	Grm1	Rattus norvegicus (Rat)	1199
469261	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
469266	Metabotropic glutamate receptor 3	Q14832	GRM3	Homo sapiens (Human)	879
469262	Metabotropic glutamate receptor 4	Q14833	GRM4	Homo sapiens (Human)	912
469264	Metabotropic glutamate receptor 5	P41594	GRM5	Homo sapiens (Human)	1212
469260	Metabotropic glutamate receptor 6	O15303	GRM6	Homo sapiens (Human)	877
469263	Metabotropic glutamate receptor 7	Q14831	GRM7	Homo sapiens (Human)	915
469265	Metabotropic glutamate receptor 8	O00222	GRM8	Homo sapiens (Human)	908

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