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

NameAC1N0WBK
Molecular formulaC23H28O8
IUPAC namemethyl 9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight432.469
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM86548
L000741
OBSYBRPAKCASQB-UHFFFAOYSA-N
CAS_83729-01-5
methyl 9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
[ Show all ]
Inchi KeyOBSYBRPAKCASQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3
PubChem CID3969708
ChEMBLN/A
IUPHARN/A
BindingDB86548
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 31
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2373155-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2373115-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2373245-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2373255-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
2373335-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2373295-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2373125-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2373355-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
237317Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
237323Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
237334D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
237336D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
237326D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
237318D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
237310Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
237309Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
237308Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
237327Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
237313Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
237332Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872

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