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	SMR000060792
Molecular formula	C23H31N3O5S
IUPAC name	1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Molecular weight	461.577
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.7
Synonyms	MLS001074772 AC1MH9FZ CHEMBL1338034 716375-88-1 MLS000054454 MolPort-004-247-304 AKOS034456036 Z56798518 1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol HMS2493A20 MLS000879846 AB00425574-10 NCGC00036795-02 1-[4-(morpholine-4-sulfonyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol MCULE-2366770275 [ Show all ]
Inchi Key	AZQAZYFKYDDSGJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H31N3O5S/c27-21(18-24-10-12-25(13-11-24)20-4-2-1-3-5-20)19-31-22-6-8-23(9-7-22)32(28,29)26-14-16-30-17-15-26/h1-9,21,27H,10-19H2
PubChem CID	2998389
ChEMBL	CHEMBL1338034
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
18401	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
465120	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
18400	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
465121	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