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

NameAC1P03JT
Molecular formulaC18H22N2O2S
IUPAC nameN-[4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
Molecular weight330.446
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsCHEMBL3559748
N-(4-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}phenyl)acetamide
AKOS017023245
Z25065177
MCULE-1019625000
[ Show all ]
Inchi KeyIWGIGWVBRRPGPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N2O2S/c1-5-20-12(2)10-17(13(20)3)18(22)11-23-16-8-6-15(7-9-16)19-14(4)21/h6-10H,5,11H2,1-4H3,(H,19,21)
PubChem CID8114882
ChEMBLCHEMBL3559748
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
539642Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
480598Metabotropic glutamate receptor 7Q14831GRM7Homo sapiens (Human)915
480599Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908

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