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 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

You can:

Ligand

NameCHEMBL3400988
Molecular formulaC26H24O7
IUPAC name4-[2-acetyl-5-(1,3-benzodioxol-5-ylmethoxy)phenoxy]-4-phenylbutanoic acid
Molecular weight448.471
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50064000
Inchi KeyBIYKBVGFYUZIRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24O7/c1-17(27)21-9-8-20(30-15-18-7-10-23-25(13-18)32-16-31-23)14-24(21)33-22(11-12-26(28)29)19-5-3-2-4-6-19/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,28,29)
PubChem CID73669821
ChEMBLCHEMBL3400988
IUPHARN/A
BindingDB50064000
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442643Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
442642Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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