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

NameCHEMBL326356
Molecular formulaC21H27N3O4S
IUPAC name3-[3-(pyridin-3-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoic acid
Molecular weight417.524
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM50060391
SCHEMBL8309265
3-{3-Pyridin-3-ylmethyl-5-[2-(pyrrolidine-1-sulfonylamino)-ethyl]-phenyl}-propionic acid
Inchi KeyBSTJPYNZDQCBNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O4S/c25-21(26)6-5-17-12-18(7-9-23-29(27,28)24-10-1-2-11-24)14-20(13-17)15-19-4-3-8-22-16-19/h3-4,8,12-14,16,23H,1-2,5-7,9-11,15H2,(H,25,26)
PubChem CID10502084
ChEMBLCHEMBL326356
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
31986Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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