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

NameCHEMBL518110
Molecular formulaC20H14Cl2N2O4S3
IUPAC nameN-(4,5-dichlorothiophen-2-yl)sulfonyl-2-[(3-phenylsulfanyl-1H-indol-4-yl)oxy]acetamide
Molecular weight513.422
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50254923
N-(4,5-dichlorothiophen-2-ylsulfonyl)-2-(3-(phenylthio)-1H-indol-4-yloxy)acetamide
Inchi KeyAGISCJRTWDREIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14Cl2N2O4S3/c21-13-9-18(30-20(13)22)31(26,27)24-17(25)11-28-15-8-4-7-14-19(15)16(10-23-14)29-12-5-2-1-3-6-12/h1-10,23H,11H2,(H,24,25)
PubChem CID44570444
ChEMBLCHEMBL518110
IUPHARN/A
BindingDB50254923
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
4905Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390

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