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

NameAC1M1VJB
Molecular formulaC27H27N3O4S2
IUPAC name4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
Molecular weight521.65
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsEU-0022455
MolPort-007-592-417
4-(morpholin-4-ylsulfonyl)-N-{2-[(2-phenyl-1H-indol-3-yl)thio]ethyl}benzamide
HMS1813I15
AKOS001779936
[ Show all ]
Inchi KeyAFKWOUUBJZYNNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N3O4S2/c31-27(21-10-12-22(13-11-21)36(32,33)30-15-17-34-18-16-30)28-14-19-35-26-23-8-4-5-9-24(23)29-25(26)20-6-2-1-3-7-20/h1-13,29H,14-19H2,(H,28,31)
PubChem CID2156516
ChEMBLCHEMBL1402483
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4250Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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