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	AC1LGD0T
Molecular formula	C12H14N4O4S2
IUPAC name	4-(methanesulfonamido)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Molecular weight	342.388
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	-0.2
Synonyms	(4-{[(4-methylpyrimidin-2-yl)amino]sulfonyl}phenyl)(methylsulfonyl)amine CBKinase1_000135 N-(4-methyl-2-pyrimidinyl)-4-[(methylsulfonyl)amino]-1-benzenesulfonamide 4-Methanesulfonylamino-N-(4-methyl-pyrimidin-2-yl)-benzenesulfonamide CHEMBL1404814 SMR000275328 BAS 02066620 MLS000715349 ZINC294269 333443-02-0 CBKinase1_012535 N-(4-methylpyrimidin-2-yl)-4-[(methylsulfonyl)amino]benzenesulfonamide HMS2748N05 ST50697947 BRD-K36879580-001-01-6 MolPort-001-511-019 4-(methanesulfonamido)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Oprea1_572759 AKOS000644217 MCULE-4480705863 STK006552 [ Show all ]
Inchi Key	AELMOHCVVIXBFW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N4O4S2/c1-9-7-8-13-12(14-9)16-22(19,20)11-5-3-10(4-6-11)15-21(2,17)18/h3-8,15H,1-2H3,(H,13,14,16)
PubChem CID	792707
ChEMBL	CHEMBL1404814
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
463325	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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