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

NameMLS001071091
Molecular formulaC30H36N4O5
IUPAC nameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenoxy)butanamide
Molecular weight532.641
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsCHEMBL1513423
MolPort-005-736-825
HMS3008O10
ZINC24716311
AKOS007987006
[ Show all ]
Inchi KeyADGHXOCNRLANOE-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H36N4O5/c1-38-24-14-16-25(17-15-24)39-20-8-13-26(35)33(19-18-22-9-4-2-5-10-22)27-28(31)34(30(37)32-29(27)36)21-23-11-6-3-7-12-23/h3,6-7,9,11-12,14-17H,2,4-5,8,10,13,18-21,31H2,1H3,(H,32,36,37)
PubChem CID24978875
ChEMBLCHEMBL1513423
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
2254Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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