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

NameCHEMBL210551
Molecular formulaC23H26N6O
IUPAC name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-pyrazol-1-ylimidazo[1,2-a]pyridine
Molecular weight402.502
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50189847
2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-(pyrazol-1-yl)imidazo[1,2-a]pyridine
Inchi KeyCAVSFHXWRJHLEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N6O/c1-18-14-21(29-9-5-8-24-29)23-25-19(17-28(23)15-18)16-26-10-12-27(13-11-26)20-6-3-4-7-22(20)30-2/h3-9,14-15,17H,10-13,16H2,1-2H3
PubChem CID11682812
ChEMBLCHEMBL210551
IUPHARN/A
BindingDB50189847
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37567D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
37565D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
37566D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
37564D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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