Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●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 ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Prostaglandin D2 receptor 2
Species	Rattus norvegicus (Rat)
Gene	Ptgdr2
Synonym	PGD2 receptor Gpr44 G protein-coupled receptor 44 DP2 receptor CRTH2 CD294 prostaglandin D2 receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	403
Amino acid sequence	MANITLKPLCPLLEEMVQLPNHSNSSLRYIDHVSVLLHGLASLLGLVENGLILFVVGCRMRQTVVTTWVLHLALSDLLAAASLPFFTYFLAVGHSWELGTTFCKLHSSVFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHRVCLMLWALAVLNTVPYFVFRDTIPRRDGRIMCYYNMLLLNPGSDRDTTCDYRQKALAVSKFLLAFMVPLAIIASSHVAVSLQLHHRGRQRTGRFVRLVAAIVVAFILCWGPYHIFSLLEARAHSVTTLRQLASRGLPFVTSLAFFNSVVNPLLYVLTCPDMLHKLRRSLLTVLESVLVEDSDLSTGPGKRCRRRHRRRASSTTTPASTLLLADRFPQLRPARLIGWMRRGSAELPRRVREQSQEKQGSLSCTLD
UniProt	Q6XKD3
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075112
IUPHAR	339
DrugBank	N/A

Ligand

Name	851723-84-7
Molecular formula	C21H17FN2O2
IUPAC name	2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
Molecular weight	348.377
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	950688-14-9 (sodium salt) AOB87167 DTXSID00234343 NCGC00386286-04 OC000459 SCHEMBL1782956 2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid AJ-108236 BCP04237 CS-1285 GTPL9277 OC-1768 QC-10854 TC-155505 5-fluoro-2-methyl-3-(2-quinolinylmethyl)-1H-Indole-1-acetic acid 851723-84-7, 950688-14-9 (sodium salt) AM20120668 BDBM50296977 DA-18057 KB-79648 OC-459 SB16523 Y0372 04XB9TB8OL AB0035922 AX8237454 CHEMBL560993 EX-A090 OC 000459 OC459 ST24039501 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic Acid AK-97093 BCP0726000084 CTK8C1481 HMS3651F15 OC-2125 S-7796 timapiprant ANW-66760 C21H17FN2O2 DB11900 MolPort-023-219-145 OC-499 SC-93534 ZINC43120334 1H-Indole-1-acetic acid, 5-fluoro-2-methyl-3-(2-quinolinylmethyl)- ABP001054 BC600559 CRTH2 antagonists (asthma/allergy), Oxagen FT-0729718 OC-000459 ODC-9101 SW219412-1 4CA-0934 AKOS016007630 BCP9001018 D0X7EG HY-15342 OC-2184 s2822 UNII-04XB9TB8OL (5-Fluoro-2-methyl-3-quinolin-2-ylmethylindo-1-yl)-acetic acid [ Show all ]
Inchi Key	FATGTHLOZSXOBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
PubChem CID	11462174
ChEMBL	CHEMBL560993
IUPHAR	9277
BindingDB	50296977
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.0 nM	PMID22106101	IUPHAR

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