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	MLS000551370
Molecular formula	C15H18O4
IUPAC name	ethyl 2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylate
Molecular weight	262.305
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	ethyl 2-(tert-butyl)-5-hydroxybenzo[b]furan-3-carboxylate Oprea1_441825 ZINC307903 F1190-0194 SR-01000246907 BDBM61453 cid_800972 STK839978 2-tert-Butyl-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester ethyl 2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylate SBB080993 AC1LFCYG HMS2185N14 SR-01000246907-1 ethyl 2-(tert-butyl)-5-hydroxybenzofuran-3-carboxylate MolPort-000-424-131 Z57959635 384359-45-9 ethyl 2-tert-butyl-5-oxidanyl-1-benzofuran-3-carboxylate SMR000145295 AKOS000275884 CHEMBL1507704 MCULE-7732105980 ST50038822 2-tert-butyl-5-hydroxy-3-benzofurancarboxylic acid ethyl ester [ Show all ]
Inchi Key	BRCITODEJQWUIL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H18O4/c1-5-18-14(17)12-10-8-9(16)6-7-11(10)19-13(12)15(2,3)4/h6-8,16H,5H2,1-4H3
PubChem CID	800972
ChEMBL	CHEMBL1507704
IUPHAR	N/A
BindingDB	61453
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
30874	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
30873	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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