Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●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 ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	MLS001066639
Molecular formula	C12H5F2N3O4S
IUPAC name	N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
Molecular weight	325.246
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM54464 SMR000640856 cid_2307752 N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-nitro-2-furancarboxamide AC1M4HAI MCULE-6231201351 N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-5-nitro-furan-2-carboxamide MolPort-003-451-085 ZINC3165753 F0600-0053 N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide AKOS024586018 MLS-0389119.0001 Oprea1_724912 CHEMBL1354394 N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-nitro-2-furamide 325741-10-4 HMS2243N21 N-(4,6-difluorobenzo[d]thiazol-2-yl)-5-nitrofuran-2-carboxamide [ Show all ]
Inchi Key	AEEGWCAEVFYZNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H5F2N3O4S/c13-5-3-6(14)10-8(4-5)22-12(15-10)16-11(18)7-1-2-9(21-7)17(19)20/h1-4H,(H,15,16,18)
PubChem CID	2307752
ChEMBL	CHEMBL1354394
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
463293	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417