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

NameCHEMBL3896713
Molecular formulaC20H15Cl2FN6O
IUPAC nameN-(2,3-dichlorophenyl)-2-[4-[2-fluoro-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
Molecular weight445.279
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50201606
Inchi KeyATEYPTRGUFOPEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
PubChem CID134133574
ChEMBLCHEMBL3896713
IUPHARN/A
BindingDB50201606
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548033Probable G-protein coupled receptor 142Q7TQN9Gpr142Mus musculus (Mouse)365
548034Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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