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 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

NameAC1MMTJZ
Molecular formulaC27H25N5O3S
IUPAC name3-(2,5-dimethoxyphenyl)-5-[[4-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
Molecular weight499.589
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.7
SynonymsNCGC00116278-01
CHEMBL1360853
MCULE-9905365379
3-(2,5-dimethoxyphenyl)-5-({[4-(4-ethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,2,4-oxadiazole
STL419479
[ Show all ]
Inchi KeyABXZMEPUPUAYDE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25N5O3S/c1-4-18-10-12-20(13-11-18)32-26(19-8-6-5-7-9-19)29-30-27(32)36-17-24-28-25(31-35-24)22-16-21(33-2)14-15-23(22)34-3/h5-16H,4,17H2,1-3H3
PubChem CID3266511
ChEMBLCHEMBL1360853
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1297Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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