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

NameCHEMBL3800490
Molecular formulaC20H14Cl2N4O2
IUPAC name3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
Molecular weight413.258
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50166970
Inchi KeyBSFSWQDELBLJJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14Cl2N4O2/c21-12-4-3-11-10-26(20(28)14(11)8-12)17-6-5-13(9-15(17)22)25-19(27)18-16(23)2-1-7-24-18/h1-9H,10,23H2,(H,25,27)
PubChem CID127046202
ChEMBLCHEMBL3800490
IUPHARN/A
BindingDB50166970
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
522506Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912

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