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

NameCHEMBL3977298
Molecular formulaC16H21ClN4O2S
IUPAC nameN-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
Molecular weight368.88
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM250624
DOWIFIDOHSZOCO-UHFFFAOYSA-N
US9475795, 103
N-(4-Chlorophenyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
SCHEMBL15549531
Inchi KeyDOWIFIDOHSZOCO-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21ClN4O2S/c1-11-16(12(2)20-19-11)24(22,23)21-9-7-15(8-10-21)18-14-5-3-13(17)4-6-14/h3-6,15,18H,7-10H2,1-2H3,(H,19,20)
PubChem CID86704304
ChEMBLCHEMBL3977298
IUPHARN/A
BindingDB250624
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
534210Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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