Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL517491
Molecular formulaC20H23NO3
IUPAC name(6aR)-6-methyl-2-propoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Molecular weight325.408
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50251321
(R)-6-Methyl-2-propoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Inchi KeyBCZNYILKVXTJOI-MRXNPFEDSA-N
Inchi IDInChI=1S/C20H23NO3/c1-3-8-24-14-9-13-6-7-21(2)16-10-12-4-5-17(22)20(23)19(12)15(11-14)18(13)16/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
PubChem CID44567588
ChEMBLCHEMBL517491
IUPHARN/A
BindingDB50251321
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
20722D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
20721D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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