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 183
Species	Mus musculus (Mouse)
Gene	Gpr183
Synonym	GPR183 G protein-coupled receptor 183 Epstein-Barr virus-induced gene 2 Epstein-Barr virus-induced G-protein coupled receptor 2 homolog {ECO:0000250\|UniProtKB:P32249} EBV-induced G-protein coupled receptor 2 homolog {ECO:0000250\|UniProtKB:P32249} EBV-induced G protein-coupled receptor 2 EBI2 {ECO:0000250\|UniProtKB:P32249} EBI2 lymphocyte-specific G protein-coupled receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MANNFTTPLATSHGNNCDLYAHHSTARVLMPLHYSLVFIIGLVGNLLALVVIVQNRKKINSTTLYSMNLVISDILFTTALPTRIAYYALGFDWRIGDALCRVTALVFYINTYAGVNFMTCLSIDRFFAVVHPLRYNKIKRIEYAKGVCLSVWILVFAQTLPLLLTPMSKEEGDKTTCMEYPNFEGTASLPWILLGACLLGYVLPITVILLCYSQICCKLFRTAKQNPLTEKSGVNKKALNTIILIIVVFILCFTPYHVAIIQHMIKMLCSPGALECGARHSFQISLHFTVCLMNFNCCMDPFIYFFACKGYKRKVMKMLKRQVSVSISSAVRSAPEENSREMTESQMMIHSKASNGR
UniProt	Q3U6B2
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	CHEMBL3259471
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3262887
Molecular formula	C22H24N2O3
IUPAC name	(E)-3-(4-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]prop-2-en-1-one
Molecular weight	364.445
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.1
Synonyms	BDBM50011729 (E)-3-(4-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]prop-2-en-1-one
Inchi Key	ZOFQKWPYOSTVOH-KPKJPENVSA-N
Inchi ID	InChI=1S/C22H24N2O3/c1-17-3-8-19(9-4-17)22(26)24-15-13-23(14-16-24)21(25)12-7-18-5-10-20(27-2)11-6-18/h3-12H,13-16H2,1-2H3/b12-7+
PubChem CID	39572558
ChEMBL	CHEMBL3262887
IUPHAR	N/A
BindingDB	50011729
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	53.7 nM	PMID24678947	ChEMBL
IC50	54.0 nM	PMID24678947	BindingDB
IC50	65.0 nM	PMID24678947	ChEMBL

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