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

NameCHEMBL551535
Molecular formulaC19H25N3O2
IUPAC name2-oxo-N-(piperidin-4-ylmethyl)-1-propan-2-ylquinoline-3-carboxamide
Molecular weight327.428
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50414667
Inchi KeyACIVVYHJZPFQCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N3O2/c1-13(2)22-17-6-4-3-5-15(17)11-16(19(22)24)18(23)21-12-14-7-9-20-10-8-14/h3-6,11,13-14,20H,7-10,12H2,1-2H3,(H,21,23)
PubChem CID44249186
ChEMBLCHEMBL551535
IUPHARN/A
BindingDB50414667
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
16175-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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