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	p-Toluenesulfonamide, N-(xanthen-9-yl)-
Molecular formula	C20H17NO3S
IUPAC name	4-methyl-N-(9H-xanthen-9-yl)benzenesulfonamide
Molecular weight	351.42
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	HMS1482M04 Oprea1_006107 STK325647 A1640/0070238 BAS 00534999 BRD-K10852420-001-01-7 MolPort-000-248-957 4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide AC1Q6U4U CHEMBL3311302 NSC-31171 SR-01000492283-1 AKOS001663516 IDI1_021346 Oprea1_382032 ZINC626613 4-Methyl-N-(9H-xanthen-9-yl)-benzenesulfonamide AC1L5PAO BDBM50044874 CCG-111864 N-Tosyl-9H-xanthene-9-amine SCHEMBL19260836 4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide # AH 7614 ChemDiv3_003436 NSC31171 ST4034127 6326-06-3 B7792 Benzenesulfonamide, 4-methyl-N-(xanthen-9-yl)- MCULE-9692010752 OZCQEUZTOAAWDK-UHFFFAOYSA-N [(4-methylphenyl)sulfonyl]xanthen-9-ylamine 4-methyl-N-(9H-xanthen-9-yl)benzene-1-sulfonamide AC1Q2LOE N-xanthyl-p-toluenesulfonamide SR-01000492283 4-Methyl-N-9H-xanthen-9-yl-benzenesulfonamide AH-7614, >=98% (HPLC) [ Show all ]
Inchi Key	OZCQEUZTOAAWDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
PubChem CID	233085
ChEMBL	CHEMBL3311302
IUPHAR	N/A
BindingDB	50044874
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
451692	Free fatty acid receptor 1	O14842	FFAR1	Homo sapiens (Human)	300
451693	Free fatty acid receptor 4	Q7TMA4	Ffar4	Mus musculus (Mouse)	361
451694	Free fatty acid receptor 4	Q2AC31	Ffar4	Rattus norvegicus (Rat)	361
451695	Free fatty acid receptor 4	Q5NUL3	FFAR4	Homo sapiens (Human)	377

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