Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameN-(3,5-dimethylphenyl)cyclopentanecarboxamide
Molecular formulaC14H19NO
IUPAC nameN-(3,5-dimethylphenyl)cyclopentanecarboxamide
Molecular weight217.312
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP3.4
SynonymsSMR000064983
AC1LHH6B
MLS000054675
CHEMBL1391494
MolPort-002-243-470
[ Show all ]
Inchi KeyAATFGQMTHPPNTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H19NO/c1-10-7-11(2)9-13(8-10)15-14(16)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,15,16)
PubChem CID837844
ChEMBLCHEMBL1391494
IUPHARN/A
BindingDBN/A
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
511Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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