Zhang Lab

University of Michigan

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL569772
Molecular formula	C25H24Cl2N2O7S
IUPAC name	2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(propan-2-ylcarbamoyl)phenoxy]-3-methoxyphenyl]acetic acid
Molecular weight	567.434
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.7
Synonyms	2-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(isopropylcarbamoyl)phenoxy)-3-methoxyphenyl)acetic acid BDBM50302830
Inchi Key	ASSQPKCRVAPEPN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24Cl2N2O7S/c1-14(2)28-25(32)16-5-8-20(36-21-7-4-15(11-24(30)31)10-22(21)35-3)19(12-16)29-37(33,34)23-9-6-17(26)13-18(23)27/h4-10,12-14,29H,11H2,1-3H3,(H,28,32)(H,30,31)
PubChem CID	45486065
ChEMBL	CHEMBL569772
IUPHAR	N/A
BindingDB	50302830
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
13489	Prostaglandin D2 receptor	Q13258	PTGDR	Homo sapiens (Human)	359
13490	Prostaglandin D2 receptor 2	Q9Y5Y4	PTGDR2	Homo sapiens (Human)	395

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