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	4-methylphenyl 5-nitro-2-pyridinyl sulfone
Molecular formula	C12H10N2O4S
IUPAC name	2-(4-methylphenyl)sulfonyl-5-nitropyridine
Molecular weight	278.282
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.2
Synonyms	2-(4-methylbenzenesulfonyl)-5-nitropyridine 91974-22-0 KS-00001UU2 SMR000550074 2R-0608 BDBM54428 MCULE-3870617590 5-Nitro-2-tosylpyridine cid_1472329 MolPort-002-863-276 2-(4-methylphenyl)sulfonyl-5-nitro-pyridine AC1LSVZK ksc-8-109 ZINC1383717 MLS-0319535.0001 HMS2885A11 Oprea1_797223 2-(4-methylphenyl)sulfonyl-5-nitropyridine AKOS005086308 KUC104578N 5-nitro-2-tosyl-pyridine CHEMBL1431608 MLS001165624 [ Show all ]
Inchi Key	POLPNUJAOPJLTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10N2O4S/c1-9-2-5-11(6-3-9)19(17,18)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
PubChem CID	1472329
ChEMBL	CHEMBL1431608
IUPHAR	N/A
BindingDB	54428
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
264846	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
264848	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
264849	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372
264847	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
495688	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