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

NameCHEMBL138989
Molecular formulaC21H25N3O
IUPAC name[(2R,4R)-2,4-dimethylazetidin-1-yl]-[(9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanone
Molecular weight335.451
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsPDSP2_001210
BDBM50118577
PDSP1_001227
Inchi KeyDUKNIHFTDAXJON-RCZCSUKSSA-N
Inchi IDInChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15-,19?/m1/s1
PubChem CID11121216
ChEMBLCHEMBL138989
IUPHARN/A
BindingDB50118577
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
691865-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
691815-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
691895-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
691785-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
691805-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
691915-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
691905-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
691855-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
691875-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
69182D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
69179D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
69184D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
69183D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
69188D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
69192Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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