Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameAC1MBC3F
Molecular formulaC17H15N3O3S2
IUPAC name1-(2,4-dihydroxyphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Molecular weight373.445
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.7
SynonymsMLS001175074
CHEMBL1525108
MolPort-004-187-280
HMS2922N17
ZINC3533169
[ Show all ]
Inchi KeyADEBQPJRDUFGHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15N3O3S2/c1-10-3-2-4-11(7-10)18-16-19-20-17(25-16)24-9-15(23)13-6-5-12(21)8-14(13)22/h2-8,21-22H,9H2,1H3,(H,18,19)
PubChem CID2648827
ChEMBLCHEMBL1525108
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
2163Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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