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 ●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 ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●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)[4-(phenylsulfonyl)piperazin-1-yl]methanone
Molecular formula	C18H20N2O3S
IUPAC name	[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
Molecular weight	344.429
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.4
Synonyms	AFYWAQYXTPMOSG-UHFFFAOYSA-N MLS000862429 [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone 1-(benzenesulfonyl)-4-(4-methylbenzoyl)piperazine ST4076363 A2907/0122491 HMS2641M04 Z29406261 (4-methylphenyl)[4-(phenylsulfonyl)piperazino]methanone AKOS000392273 MolPort-002-105-103 [4-(benzenesulfonyl)piperazin-1-yl]-(p-tolyl)methanone 4-methylphenyl 4-(phenylsulfonyl)piperazinyl ketone CHEMBL1224685 STK710939 (4-Benzenesulfonylpiperazin-1-yl)(p-tolyl)methanone AC1LE6YB MCULE-9958977193 ZINC94626 1-(4-methylbenzoyl)-4-(phenylsulfonyl)piperazine BRD-K61581335-001-07-1 SMR000301278 681845-07-8 EU-0020132 VH16 [ Show all ]
Inchi Key	AFYWAQYXTPMOSG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)18(21)19-11-13-20(14-12-19)24(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
PubChem CID	707395
ChEMBL	CHEMBL1224685
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
463450	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