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

NameSCHEMBL851533
Molecular formulaC26H26F3N5O6S
IUPAC name3-[3-methyl-4-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]imidazolidine-2,4-dione
Molecular weight593.578
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP2.8
SynonymsUS9428505, Comparative: Example 1
CHEMBL3959465
BDBM64569
Inchi KeyREOKUYXIRRUCMN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26F3N5O6S/c1-16-13-19(34-21(35)15-30-24(34)37)6-5-17(16)7-12-41(38,39)33-10-8-25(9-11-33)23(36)31-22(32-25)18-3-2-4-20(14-18)40-26(27,28)29/h2-6,13-14H,7-12,15H2,1H3,(H,30,37)(H,31,32,36)
PubChem CID66818600
ChEMBLCHEMBL3959465
IUPHARN/A
BindingDB64569
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535227Parathyroid hormone/parathyroid hormone-related peptide receptorP25961Pth1rRattus norvegicus (Rat)591

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