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	MLS001030882
Molecular formula	C26H29N3O4S
IUPAC name	N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-4-methylbenzenesulfonamide
Molecular weight	479.595
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	MLS-0365186.0001 N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]-4-methyl-benzenesulfonamide HMS2927G11 SMR000635051 AKOS002107496 CHEMBL1504170 N-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-4-methylbenzenesulfonamide MCULE-4707938953 BDBM54474 N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzyl]-4-methyl-benzenesulfonamide cid_20968605 N-[[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-4-methylbenzenesulfonamide [ Show all ]
Inchi Key	AHIJWFSPPBWRGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H29N3O4S/c1-20-3-13-25(14-4-20)34(31,32)27-19-21-5-7-22(8-6-21)26(30)29-17-15-28(16-18-29)23-9-11-24(33-2)12-10-23/h3-14,27H,15-19H2,1-2H3
PubChem CID	20968605
ChEMBL	CHEMBL1504170
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
5575	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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