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

NameCHEMBL268274
Molecular formulaC17H25N3O
IUPAC name11-(dipropylamino)-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
Molecular weight287.407
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[1,2,3-de]quinoxalin-3-one
1,2,6,7-Tetrahydro-6-dipropylamino-3H,5H-pyrido[1,2,3-de]quinoxalin-3-one
BDBM50001971
SCHEMBL7345169
Inchi KeyAGDDFINMHZZBNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,14,18H,3-4,8-12H2,1-2H3
PubChem CID15744960
ChEMBLCHEMBL268274
IUPHARN/A
BindingDB50001971
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
47845-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4783D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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