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

NameCHEMBL248064
Molecular formulaC27H27NO4
IUPAC name6,7-dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
Molecular weight429.516
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.3
SynonymsN/A
Inchi KeyCFGJMINARVBJLW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27NO4/c1-29-24-13-20-9-10-28(17-22(20)15-25(24)30-2)16-18-11-21-14-23(19-7-5-4-6-8-19)32-27(21)26(12-18)31-3/h4-8,11-15H,9-10,16-17H2,1-3H3
PubChem CID44438173
ChEMBLCHEMBL248064
IUPHARN/A
BindingDBN/A
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
40619Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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