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

NameCHEMBL3718559
Molecular formulaC23H23ClN6O
IUPAC name3-[4-[(5-chloro-2-oxopyridin-1-yl)methyl]piperidin-1-yl]-2-(cyclopropylamino)quinoxaline-6-carbonitrile
Molecular weight434.928
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL15566798
Inchi KeyANGGFHMLEYLBFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN6O/c24-17-2-6-21(31)30(14-17)13-15-7-9-29(10-8-15)23-22(26-18-3-4-18)27-19-5-1-16(12-25)11-20(19)28-23/h1-2,5-6,11,14-15,18H,3-4,7-10,13H2,(H,26,27)
PubChem CID90038741
ChEMBLCHEMBL3718559
IUPHARN/A
BindingDBN/A
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
521717G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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