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	Homo sapiens (Human)
Gene	GPR183
Synonym	EBI2 {ECO:0000303\|PubMed:8383238} lymphocyte-specific G protein-coupled receptor hEBI2 {ECO:0000303\|PubMed:22875855} GPR183 G protein-coupled receptor 183 EBI2 Epstein-Barr virus-induced G-protein coupled receptor 2 {ECO:0000303\|PubMed:8383238} EBV-induced G-protein coupled receptor 2 {ECO:0000303\|PubMed:8383238} EBV-induced G protein-coupled receptor 2 Epstein-Barr virus-induced gene 2 [ Show all ]
Disease	N/A
Length	361
Amino acid sequence	MDIQMANNFTPPSATPQGNDCDLYAHHSTARIVMPLHYSLVFIIGLVGNLLALVVIVQNRKKINSTTLYSTNLVISDILFTTALPTRIAYYAMGFDWRIGDALCRITALVFYINTYAGVNFMTCLSIDRFIAVVHPLRYNKIKRIEHAKGVCIFVWILVFAQTLPLLINPMSKQEAERITCMEYPNFEETKSLPWILLGACFIGYVLPLIIILICYSQICCKLFRTAKQNPLTEKSGVNKKALNTIILIIVVFVLCFTPYHVAIIQHMIKKLRFSNFLECSQRHSFQISLHFTVCLMNFNCCMDPFIYFFACKGYKRKVMRMLKRQVSVSISSAVKSAPEENSREMTETQMMIHSKSSNGK
UniProt	P32249
Protein Data Bank	N/A
GPCR-HGmod model	P32249
3D structure model	This predicted structure model is from GPCR-EXP P32249.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3259470
IUPHAR	81
DrugBank	N/A

Ligand

Name	NIBR189
Molecular formula	C21H21BrN2O3
IUPAC name	(E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
Molecular weight	429.314
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.4
Synonyms	J-690215 SCHEMBL16598585 (2E)-3-(4-Bromophenyl)-1-[4-4-methoxybenzoyl)-1-piperazinyl]-2-propene-1-one BCP16145 NIBR-189 1599432-08-2 EX-A1054 SBI-0646755.0001 AKOS008108061 MolPort-009-629-631 ZINC29118586 (E)-3-(4-Bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one BDBM50011716 CHEMBL3262896 2896AH HY-12336 SCHEMBL16598583 (2E)-3-(4-Bromophenyl)-1-[4-(4-methoxybenzoyl)-1-piperazinyl]-2-propen-1-one B8010 NIBR 189 (E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one C21H21BrN2O3 CS-3346 NIBR189, (E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one, powder [ Show all ]
Inchi Key	OFHXXBRBGWUOHR-NYYWCZLTSA-N
Inchi ID	InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
PubChem CID	36295259
ChEMBL	CHEMBL3262896
IUPHAR	N/A
BindingDB	50011716
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	0.2239 nM	PMID24678947	ChEMBL
IC50	0.3 nM	PMID24678947	ChEMBL
IC50	0.3 nM	PMID24678947	BindingDB
IC50	0.564 nM	PubChem BioAssay data set	ChEMBL
IC50	7.0 nM	PMID24678947	BindingDB
IC50	7.0 nM	PMID24678947	ChEMBL
IC50	7.079 nM	PMID24678947	ChEMBL
IC50	8.5 nM	PMID24678947	BindingDB,ChEMBL
IC50	8.511 nM	PMID24678947	ChEMBL
IC50	8.71 nM	PMID24678947	ChEMBL
IC50	9.0 nM	PMID24678947	ChEMBL
IC50	9.0 nM	PMID24678947	BindingDB
IC50	10.0 nM	PMID24678947	BindingDB
IC50	10.47 nM	PMID24678947	ChEMBL
IC50	11.0 nM	PMID24678947	ChEMBL

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