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

NameCHEMBL3628115
Molecular formulaC19H12ClN3O4
IUPAC nameN-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide
Molecular weight381.772
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50127993
Inchi KeyCVGSBYQJDYXQRK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24)
PubChem CID122193179
ChEMBLCHEMBL3628115
IUPHARN/A
BindingDB50127993
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
469258Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
469259Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
469261Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
469266Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879
469262Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
469264Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
469260Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877
469263Metabotropic glutamate receptor 7Q14831GRM7Homo sapiens (Human)915
469265Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908

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