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

NameAC1NMPDC
Molecular formulaC22H23N3O5S
IUPAC nameN-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
Molecular weight441.502
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.5
SynonymsOprea1_434867
CHEMBL1590543
MolPort-003-023-384
HMS1911P22
ZINC3009699
[ Show all ]
Inchi KeyAIJGIGPDPMBDEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N3O5S/c1-13-8-9-18(14(2)10-13)25-21(16-11-31(27,28)12-17(16)24-25)23-22(26)15-6-5-7-19(29-3)20(15)30-4/h5-10H,11-12H2,1-4H3,(H,23,26)
PubChem CID5054859
ChEMBLCHEMBL1590543
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
6265Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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