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

NameMLS001175072
Molecular formulaC19H17N3OS
IUPAC name11,13-dimethyl-5-[(3-methylphenyl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
Molecular weight335.425
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsCHEMBL1882739
MolPort-003-331-605
HMS2901L12
ZINC8194272
AKOS001261490
[ Show all ]
Inchi KeyAGPJOQCWVXFWJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17N3OS/c1-11-5-4-6-14(7-11)9-22-10-20-16-15-12(2)8-13(3)21-18(15)24-17(16)19(22)23/h4-8,10H,9H2,1-3H3
PubChem CID16329628
ChEMBLCHEMBL1882739
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
5097Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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