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

NameCHEMBL137781
Molecular formulaC21H25N3O
IUPAC name[(2R,4S)-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
SynonymsPDSP1_001226
PDSP2_001211
BDBM50118576
PDSP1_001225
Inchi KeyDUKNIHFTDAXJON-MUIJYRPGSA-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 CID10947658
ChEMBLCHEMBL137781
IUPHARN/A
BindingDB50118576
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 17
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
691455-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
691545-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
691495-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
691475-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
691465-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
691575-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
691515-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
691505-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
691535-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
69160Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
69156Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
69158D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
69159D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
69144D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
69155D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
69148D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
69152Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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