Zhang Lab

National University of Singapore

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 ●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	MLS002636314
Molecular formula	C23H17F2N3O4S2
IUPAC name	2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
Molecular weight	501.523
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	5.0
Synonyms	2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide CHEMBL1581949 ZINC6146423 MCULE-6478844550 BDBM97171 MolPort-005-893-299 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide cid_2374706 AC1M6JSG MLS000417677 2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide SMR000242696 2-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide HMS2756M20 AKOS008024471 [ Show all ]
Inchi Key	CUQBLPWFKHAAND-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H17F2N3O4S2/c1-32-15-8-6-14(7-9-15)21-13-33-23(26-21)27-22(29)17-4-2-3-5-20(17)28-34(30,31)16-10-11-18(24)19(25)12-16/h2-13,28H,1H3,(H,26,27,29)
PubChem CID	2374706
ChEMBL	CHEMBL1581949
IUPHAR	N/A
BindingDB	97171
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
51013	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368
51014	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
469201	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
51012	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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