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	AC1MOBES
Molecular formula	C25H24N2O6S
IUPAC name	[4-[4-[(3-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]phenyl] acetate
Molecular weight	480.535
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.9
Synonyms	378191-20-9 MLS000774466 AKOS034116974 Z30000849 HMS2673H19 4'-{[3-(morpholine-4-sulfonyl)phenyl]carbamoyl}-[1,1'-biphenyl]-4-yl acetate MolPort-004-247-869 ZINC9096848 MCULE-7728116194 SMR000371760 CHEMBL1461346 [4-[4-[(3-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]phenyl] Acetate [ Show all ]
Inchi Key	AAGFIORJXVOUBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24N2O6S/c1-18(28)33-23-11-9-20(10-12-23)19-5-7-21(8-6-19)25(29)26-22-3-2-4-24(17-22)34(30,31)27-13-15-32-16-14-27/h2-12,17H,13-16H2,1H3,(H,26,29)
PubChem CID	3317655
ChEMBL	CHEMBL1461346
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
184	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
462988	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