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:

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	G-protein coupled receptor 35
Species	Mus musculus (Mouse)
Gene	Gpr35
Synonym	G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor
Disease	N/A for non-human GPCRs
Length	307
Amino acid sequence	MNSTTCNSTLTWPASVNNFFIIYSALLLVLGLLLNSVALWVFCYRMHQWTETRIYMTNLAVADLCLLCSLPFVLYSLKYSSSDTPVCQLSQGIYLANRYMSISLVTAIAVDRYVAVRHPLRARELRSPRQAAAVCVALWVIVVTSLVVRWRLGMQEGGFCFSSQTRRNFSTTAFSLLGFYLPLAIVVFCSLQVVTVLSRRPAADVGQAEATQKATHMVWANLAVFVICFLPLHVVLTVQVSLNLNTCAARDTFSRALSITGKLSDTNCCLDAICYYYMAREFQEASKPATSSNTPHKSQDSQILSLT
UniProt	Q9ES90
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	CHEMBL2390813
IUPHAR	102
DrugBank	N/A

Ligand

Name	CHEMBL2392178
Molecular formula	C18H10BrNO7
IUPAC name	8-(1,3-benzodioxole-5-carbonylamino)-6-bromo-4-oxochromene-2-carboxylic acid
Molecular weight	432.182
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.6
Synonyms	BDBM50436011
Inchi Key	FUKFLDCZGWCNGA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H10BrNO7/c19-9-4-10-12(21)6-15(18(23)24)27-16(10)11(5-9)20-17(22)8-1-2-13-14(3-8)26-7-25-13/h1-6H,7H2,(H,20,22)(H,23,24)
PubChem CID	71733847
ChEMBL	CHEMBL2392178
IUPHAR	N/A
BindingDB	50436011
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	34.0 %	PMID23713606	ChEMBL

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