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

NameCHEMBL555369
Molecular formulaC13H18BrNO2
IUPAC name6-(2-bromopropylamino)-5,6,7,8-tetrahydronaphthalene-2,3-diol
Molecular weight300.196
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50024707
CHEMBL1195800
6-(2-Bromo-propylamino)-5,6,7,8-tetrahydro-naphthalene-2,3-diol; hydrobromide
Inchi KeyBVJKNDDMZSNCSZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18BrNO2/c1-8(14)7-15-11-3-2-9-5-12(16)13(17)6-10(9)4-11/h5-6,8,11,15-17H,2-4,7H2,1H3
PubChem CID13897473
ChEMBLN/A
IUPHARN/A
BindingDB50024707
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33797D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417