Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->

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 ●StarFunc ●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	AC1OHM6K
Molecular formula	C20H24FN3O3S
IUPAC name	2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
Molecular weight	405.488
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.1
Synonyms	MolPort-003-098-366 CHEMBL1339148 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide MCULE-1530140434 AKOS024625261 SMR000808035 F2068-0732 897621-73-7 MLS001235252 ZINC4323181 2-(4-fluorophenyl)-N-(2-((4-phenylpiperazin-1-yl)sulfonyl)ethyl)acetamide HMS3005O09 [ Show all ]
Inchi Key	ADFQBOWNVVTPGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24FN3O3S/c21-18-8-6-17(7-9-18)16-20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)
PubChem CID	7188818
ChEMBL	CHEMBL1339148
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
2233	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
463207	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