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

NameUNII-F52O5YF6CA
Molecular formulaC24H25F4NOS
IUPAC name2-[1-[3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperidin-4-yl]ethanol
Molecular weight451.524
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.9
Synonyms2-(1-{3-[6-fluoro-2-(trifluoromethyl)-9h-thioxanthen-9-ylidene]propyl}piperidin-4-yl)ethanol
F52O5YF6CA
2-[1-[3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperidin-4-yl]ethanol
AC1L2AAS
SCHEMBL11160514
[ Show all ]
Inchi KeyCCUOZZURYIZOKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2
PubChem CID68714
ChEMBLN/A
IUPHARN/A
BindingDB81490
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38970D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
38972D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
38973D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
38971D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
555623D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444
555624D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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