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 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

NameCHEMBL2181235
Molecular formulaC22H19Cl2N3O2
IUPAC name[4-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight428.313
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50399959
Inchi KeyBBXCEBZWMOSRMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19Cl2N3O2/c1-2-26-11-12-27(19-6-4-3-5-18(19)26)22(28)16-14-25-10-9-20(16)29-21-13-15(23)7-8-17(21)24/h3-10,13-14H,2,11-12H2,1H3
PubChem CID71459275
ChEMBLCHEMBL2181235
IUPHARN/A
BindingDB50399959
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19911G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
19912G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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