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

NameCHEMBL3945817
Molecular formulaC19H27N3O3S
IUPAC name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
Molecular weight377.503
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
Synonyms1-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-methylphenoxy)piperidine
US9475795, 9
BDBM250530
JWCXZTXNQVBSFE-UHFFFAOYSA-N
1-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-methylphenoxyl)piperidine
[ Show all ]
Inchi KeyJWCXZTXNQVBSFE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N3O3S/c1-5-22-16(4)19(15(3)20-22)26(23,24)21-12-10-18(11-13-21)25-17-8-6-14(2)7-9-17/h6-9,18H,5,10-13H2,1-4H3
PubChem CID72548861
ChEMBLCHEMBL3945817
IUPHARN/A
BindingDB250530
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
534642Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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