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

NameCHEMBL585385
Molecular formulaC27H26Cl2N2O7S
IUPAC name2-[4-[4-(cyclopentylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid
Molecular weight593.472
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.2
Synonyms2-(4-(4-(cyclopentylcarbamoyl)-2-(2,4-dichlorophenylsulfonamido)phenoxy)-3-methoxyphenyl)acetic acid
BDBM50302834
Inchi KeyAFFFFAKSZDJOQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26Cl2N2O7S/c1-37-24-12-16(13-26(32)33)6-9-23(24)38-22-10-7-17(27(34)30-19-4-2-3-5-19)14-21(22)31-39(35,36)25-11-8-18(28)15-20(25)29/h6-12,14-15,19,31H,2-5,13H2,1H3,(H,30,34)(H,32,33)
PubChem CID45486038
ChEMBLCHEMBL585385
IUPHARN/A
BindingDB50302834
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4121Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
4120Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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