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

NameCHEMBL232543
Molecular formulaC31H25ClN2O4S
IUPAC nameN-[4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]phenyl]sulfonylbenzamide
Molecular weight557.061
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.9
SynonymsBDBM50423156
SCHEMBL5628714
Inchi KeyAFNUTNZHQMPJDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H25ClN2O4S/c1-22-12-18-29(28-20-25(32)13-19-30(28)38-21-23-8-4-2-5-9-23)34(22)26-14-16-27(17-15-26)39(36,37)33-31(35)24-10-6-3-7-11-24/h2-20H,21H2,1H3,(H,33,35)
PubChem CID44432329
ChEMBLCHEMBL232543
IUPHARN/A
BindingDB50423156
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4314Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402

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