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

You can:

Ligand

NameCHEMBL155708
Molecular formulaC29H26N2O8S
IUPAC name4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-7-[methyl(methylsulfonyl)amino]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
Molecular weight562.593
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.0
Synonyms7-(Methanesulfonyl-methyl-amino)-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-benzo[4,5]furo[3,2-b]pyridine-3-carboxylic acid
1-(2-Methoxybenzyl)-2-oxo-4-(4-methoxyphenyl)-7-[methyl(methylsulfonyl)amino]-1,2-dihydrobenzofuro[3,2-b]pyridine-3-carboxylic acid
BDBM50075429
Inchi KeyBUEBWCGIXCYPOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H26N2O8S/c1-30(40(4,35)36)19-11-14-21-23(15-19)39-27-24(17-9-12-20(37-2)13-10-17)25(29(33)34)28(32)31(26(21)27)16-18-7-5-6-8-22(18)38-3/h5-15H,16H2,1-4H3,(H,33,34)
PubChem CID44371773
ChEMBLCHEMBL155708
IUPHARN/A
BindingDB50075429
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32950Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
32949Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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