Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameMLS002391236
Molecular formulaC24H22N8O4
IUPAC name4-N-phenyl-5-N-[2-[[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]amino]ethyl]-1H-imidazole-4,5-dicarboxamide
Molecular weight486.492
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP1.5
SynonymsSMR001355235
HMS3351O18
CHEMBL1708119
HMS2214I14
Inchi KeyAEZKKGYZVSUKKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N8O4/c33-21(17-19(29-13-27-17)23(35)31-15-7-3-1-4-8-15)25-11-12-26-22(34)18-20(30-14-28-18)24(36)32-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,25,33)(H,26,34)(H,27,29)(H,28,30)(H,31,35)(H,32,36)
PubChem CID44142678
ChEMBLCHEMBL1708119
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3972Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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