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

NameCHEMBL6746
Molecular formulaC11H9BrN2
IUPAC name8-bromo-4,9-dihydro-3H-pyrido[3,4-b]indole
Molecular weight249.111
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP2.5
Synonyms8-Bromo-4,9-dihydro-3H-beta-carboline
BDBM50136503
D0G2EF
8-Bromo-3,4-dihydro-beta-carboline
Inchi KeyBHLUQLWTEJKCOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H9BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,6,14H,4-5H2
PubChem CID44264251
ChEMBLCHEMBL6746
IUPHARN/A
BindingDB50136503
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
238495-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
238505-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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