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

NameCHEMBL333836
Molecular formulaC18H16F3NO3S
IUPAC name[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] trifluoromethanesulfonate
Molecular weight383.385
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50052875
Trifluoro-methanesulfonic acid (R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl ester
(6aR)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol trifluoromethanesulfonate
Inchi KeyAZFCGGUCEYWFCK-CQSZACIVSA-N
Inchi IDInChI=1S/C18H16F3NO3S/c1-22-9-8-11-4-2-6-13-16(11)14(22)10-12-5-3-7-15(17(12)13)25-26(23,24)18(19,20)21/h2-7,14H,8-10H2,1H3/t14-/m1/s1
PubChem CID10786190
ChEMBLCHEMBL333836
IUPHARN/A
BindingDB50052875
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
180885-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
18089D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
18087D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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