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 ●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

NameCHEMBL394467
Molecular formulaC26H30N4O3S
IUPAC name(2S)-1-naphthalen-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
Molecular weight478.611
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50209272
(S)-1-(naphthalen-2-ylsulfonyl)-N-(1-(pyridin-2-ylmethyl)piperidin-4-yl)pyrrolidine-2-carboxamide
Inchi KeyFLELMKFYZJPMHL-VWLOTQADSA-N
Inchi IDInChI=1S/C26H30N4O3S/c31-26(28-22-12-16-29(17-13-22)19-23-8-3-4-14-27-23)25-9-5-15-30(25)34(32,33)24-11-10-20-6-1-2-7-21(20)18-24/h1-4,6-8,10-11,14,18,22,25H,5,9,12-13,15-17,19H2,(H,28,31)/t25-/m0/s1
PubChem CID44440048
ChEMBLCHEMBL394467
IUPHARN/A
BindingDB50209272
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
81119C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417