Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameN-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
Molecular formulaC21H16N2O5
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
Molecular weight376.368
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsAC1MMUXR
SMR000026446
regid4251093
MLS000091922
CHEMBL1372404
[ Show all ]
Inchi KeyACOMGCASAKQJIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16N2O5/c1-25-15-4-3-13-7-14-8-19(28-21(14)23-16(13)9-15)20(24)22-10-12-2-5-17-18(6-12)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,24)
PubChem CID3244823
ChEMBLCHEMBL1372404
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1749Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1750Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463158Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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