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	CHEMBL3287678
Molecular formula	C26H32O5
IUPAC name	2-[4-[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]butoxy]benzoic acid
Molecular weight	424.537
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.3
Synonyms	BDBM50017275 SCHEMBL17176253
Inchi Key	FEUQJCOEWPDNTP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H32O5/c1-18-19(2)24(14-13-21(18)23(27)17-20-9-3-4-10-20)30-15-7-8-16-31-25-12-6-5-11-22(25)26(28)29/h5-6,11-14,20H,3-4,7-10,15-17H2,1-2H3,(H,28,29)
PubChem CID	90643891
ChEMBL	CHEMBL3287678
IUPHAR	N/A
BindingDB	50017275
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
76661	Metabotropic glutamate receptor 2	P31421	Grm2	Rattus norvegicus (Rat)	872
559670	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
76660	Metabotropic glutamate receptor 3	P31422	Grm3	Rattus norvegicus (Rat)	879

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