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

NameCHEMBL3976574
Molecular formulaC19H14Cl2N6O
IUPAC nameN-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide
Molecular weight413.262
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50201604
Inchi KeyMYHOVNKXYPEQIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28)
PubChem CID134152061
ChEMBLCHEMBL3976574
IUPHARN/A
BindingDB50201604
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
550590Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462
550591Probable G-protein coupled receptor 142Q7TQN9Gpr142Mus musculus (Mouse)365

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