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

NameCHEMBL409128
Molecular formulaC29H33ClN2O
IUPAC name5-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinoline
Molecular weight461.046
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.9
SynonymsBDBM50376806
SCHEMBL13925316
Inchi KeyDKDZODIIQJVFAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33ClN2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(33-3)29-24(31-25)13-8-14-26(29)32-16-15-22-21(18-32)11-7-12-23(22)30/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
PubChem CID25192901
ChEMBLCHEMBL409128
IUPHARN/A
BindingDB50376806
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
62121C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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