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

NameSMR000124404
Molecular formulaC20H24N4O6S2
IUPAC nameN,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide
Molecular weight480.554
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP1.9
SynonymsN,N-Dimethyl-4-{3-[3-(5-methyl-furan-2-yl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-sulfonyl}-benzenesulfonamide
AC1MLRHN
MLS000123859
MLS002539303
CHEMBL1387104
[ Show all ]
Inchi KeyADOYZNXTCFFSDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4O6S2/c1-14-6-11-18(29-14)19-21-20(30-22-19)15-5-4-12-24(13-15)32(27,28)17-9-7-16(8-10-17)31(25,26)23(2)3/h6-11,15H,4-5,12-13H2,1-3H3
PubChem CID3226283
ChEMBLCHEMBL1387104
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2928Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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