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

NameCHEMBL3628112
Molecular formulaC20H12Cl2N2O4
IUPAC nameN-[3-chloro-4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
Molecular weight415.226
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50127965
Inchi KeyDCYOTMCWHBEKAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H12Cl2N2O4/c1-10-6-7-28-17(10)18(25)23-12-3-5-16(15(22)9-12)24-19(26)13-4-2-11(21)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)
PubChem CID122193176
ChEMBLCHEMBL3628112
IUPHARN/A
BindingDB50127965
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
469947Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
469951Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
469949Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
469955Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879
469950Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
469953Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
469954Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877
469952Metabotropic glutamate receptor 7Q14831GRM7Homo sapiens (Human)915
469948Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908

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