Zhang Lab

National University of Singapore

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 ●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	CHEMBL1917389
Molecular formula	C16H10Cl2O3
IUPAC name	2-[4-chloro-2-[2-(3-chlorophenyl)ethynyl]phenoxy]acetic acid
Molecular weight	321.153
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.8
Synonyms	LROYLZZPNSRGAA-UHFFFAOYSA-N {4-chloro-2-[(3-chlorophenyl)ethynyl]phenoxy}acetic acid SCHEMBL1368182 ZINC73161492 BDBM50356646
Inchi Key	LROYLZZPNSRGAA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
PubChem CID	46865762
ChEMBL	CHEMBL1917389
IUPHAR	N/A
BindingDB	50356646
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
194691	Prostaglandin D2 receptor 2	Q9Y5Y4	PTGDR2	Homo sapiens (Human)	395
194692	Prostaglandin D2 receptor 2	Q9Z2J6	Ptgdr2	Mus musculus (Mouse)	382
194693	Prostaglandin E2 receptor EP2 subtype	P43116	PTGER2	Homo sapiens (Human)	358

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417