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	CHEMBL381755
Molecular formula	C30H33NO5
IUPAC name	4-[3-[2-[3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid
Molecular weight	487.596
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.3
Synonyms	SCHEMBL4987842 4-(3-(2-(3-hydroxy-4-(3-phenoxyphenyl)butyl)-5-oxopyrrolidin-1-yl)propyl)benzoic acid BDBM50181285
Inchi Key	SDEZJSYVFCHZOB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H33NO5/c32-26(20-23-6-4-10-28(21-23)36-27-8-2-1-3-9-27)17-15-25-16-18-29(33)31(25)19-5-7-22-11-13-24(14-12-22)30(34)35/h1-4,6,8-14,21,25-26,32H,5,7,15-20H2,(H,34,35)
PubChem CID	11260304
ChEMBL	CHEMBL381755
IUPHAR	N/A
BindingDB	50181285
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
311438	Prostaglandin E2 receptor EP2 subtype	Q62928	Ptger2	Rattus norvegicus (Rat)	357
311439	Prostaglandin E2 receptor EP4 subtype	P43114	Ptger4	Rattus norvegicus (Rat)	488

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