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

NameSMR000026956
Molecular formulaC11H11N3O2S
IUPAC name1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole
Molecular weight249.288
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.1
SynonymsAC1MMG7L
HMS2335M12
1-(1H-imidazol-5-ylsulfonyl)indoline
cid_3238261
AKOS013472607
[ Show all ]
Inchi KeyDMXKEAYPZQASHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H11N3O2S/c15-17(16,11-7-12-8-13-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H,12,13)
PubChem CID3238261
ChEMBLCHEMBL1367446
IUPHARN/A
BindingDB37704
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
64107fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
64106N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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