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

NameCHEMBL211539
Molecular formulaC20H23BrN4O
IUPAC name8-bromo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
Molecular weight415.335
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50189851
8-bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]-6-methylimidazo[1,2-a]pyridine
Inchi KeyBSDZATNMASVMIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23BrN4O/c1-15-11-17(21)20-22-16(14-25(20)12-15)13-23-7-9-24(10-8-23)18-5-3-4-6-19(18)26-2/h3-6,11-12,14H,7-10,13H2,1-2H3
PubChem CID11661609
ChEMBLCHEMBL211539
IUPHARN/A
BindingDB50189851
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
31571D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
31572D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
31574D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
31573D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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