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

NameCHEMBL3448261
Molecular formulaC16H20FN3O3S
IUPAC name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine
Molecular weight353.412
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.5
SynonymsZINC19658740
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(2-fluorophenoxy)piperidine
SCHEMBL15548184
AKOS030474436
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(2-fluorophenoxyl)piperidine
[ Show all ]
Inchi KeyLSJGWMPNBWLCRK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20FN3O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)23-15-6-4-3-5-14(15)17/h3-6,13H,7-10H2,1-2H3,(H,18,19)
PubChem CID46981204
ChEMBLCHEMBL3448261
IUPHARN/A
BindingDB250597
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
534771Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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