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

NameCHEMBL328377
Molecular formulaC27H31N3O4
IUPAC name3-[[4-(1H-inden-2-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight461.562
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50131356
3-[4-(1H-Inden-2-ylmethyl)-piperazin-1-ylmethyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi KeyAQDOXXILINNVJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N3O4/c1-31-24-13-21-23(14-25(24)32-2)33-17-22-26(34-28-27(21)22)16-30-9-7-29(8-10-30)15-18-11-19-5-3-4-6-20(19)12-18/h3-6,11,13-14,22,26H,7-10,12,15-17H2,1-2H3
PubChem CID44324859
ChEMBLCHEMBL328377
IUPHARN/A
BindingDB50131356
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11585Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
11587Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
11586Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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