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

NameMLS000075525
Molecular formulaC20H21N3O5S
IUPAC name1-[3-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylphenyl]ethanone
Molecular weight415.464
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.4
Synonyms1-[3-[[3-[3-(5-methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]sulfonyl]phenyl]ethanone
cid_655617
AKOS000765699
SMR000007492
1-[3-[3-[3-(5-methyl-2-furyl)-1,2,4-oxadiazol-5-yl]piperidino]sulfonylphenyl]ethanone
[ Show all ]
Inchi KeyAMHQJGAWSNOOKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3O5S/c1-13-8-9-18(27-13)19-21-20(28-22-19)16-6-4-10-23(12-16)29(25,26)17-7-3-5-15(11-17)14(2)24/h3,5,7-9,11,16H,4,6,10,12H2,1-2H3
PubChem CID655617
ChEMBLCHEMBL1392252
IUPHARN/A
BindingDB60353
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
8891Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
8890Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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