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

NameMLS000758880
Molecular formulaC24H32N4OS
IUPAC name5-[3-(dimethylamino)propylamino]-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Molecular weight424.607
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsSMR000440118
2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
AC1LZOKD
CHEMBL1432924
BDBM78883
[ Show all ]
Inchi KeyAFKNMFXTZTZWHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4OS/c1-27(2)16-9-15-25-24-26-22-21(19-12-7-4-8-13-20(19)30-22)23(29)28(24)17-14-18-10-5-3-6-11-18/h3,5-6,10-11H,4,7-9,12-17H2,1-2H3,(H,25,26)
PubChem CID1954687
ChEMBLCHEMBL1432924
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
4241Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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