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	ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Molecular formula	C24H25BrN2O5
IUPAC name	ethyl 4-[3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
Molecular weight	501.377
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.9
Synonyms	A2336/0098575 ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidyl]-2,5-dioxoazolidinyl}benzoate STK067673 AKOS021993809 MLS002540353 ethyl 4-[3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate SR-01000452521-1 AC1MEVLW HMS2296J10 MolPort-001-512-346 381185-79-1 ST037443 AKOS001626352 MCULE-2414084502 CHEMBL1452324 SR-01000452521 [ Show all ]
Inchi Key	IIJPGUVYCGCBSL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25BrN2O5/c1-2-32-23(30)16-3-9-19(10-4-16)27-21(28)15-20(22(27)29)26-13-11-24(31,12-14-26)17-5-7-18(25)8-6-17/h3-10,20,31H,2,11-15H2,1H3
PubChem CID	2884923
ChEMBL	CHEMBL1452324
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
133946	Galanin receptor type 2	O43603	GALR2	Homo sapiens (Human)	387
133945	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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