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

NameCHEMBL538235
Molecular formulaC15H22ClNO2
IUPAC name6-[2-chloroethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol
Molecular weight283.796
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsCHEMBL1189177
6-[(2-Chloro-ethyl)-propyl-amino]-5,6,7,8-tetrahydro-naphthalene-2,3-diol; hydrobromide
BDBM50024703
Inchi KeyAHGZCCQSSLOYRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H22ClNO2/c1-2-6-17(7-5-16)13-4-3-11-9-14(18)15(19)10-12(11)8-13/h9-10,13,18-19H,2-8H2,1H3
PubChem CID13897490
ChEMBLN/A
IUPHARN/A
BindingDB50024703
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
5536D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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