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

NameCHEMBL3718420
Molecular formulaC26H22Cl2N6
IUPAC name4-[[3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-yl]amino]benzonitrile
Molecular weight489.404
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL15568185
Inchi KeyCIEDROOIOWMRDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H22Cl2N6/c27-20-7-10-22(28)19(15-20)17-33-11-13-34(14-12-33)26-25(30-21-8-5-18(16-29)6-9-21)31-23-3-1-2-4-24(23)32-26/h1-10,15H,11-14,17H2,(H,30,31)
PubChem CID90039926
ChEMBLCHEMBL3718420
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522789G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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