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	CHEMBL3560117
Molecular formula	C23H23FN2O3S
IUPAC name	(E)-1-[4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
Molecular weight	426.506
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.3
Synonyms	SCHEMBL16599046 MLS-0472417.0001 SCHEMBL16599042
Inchi Key	QMQWSXVJKRGTCR-KPKJPENVSA-N
Inchi ID	InChI=1S/C23H23FN2O3S/c24-21-9-5-18(6-10-21)7-12-23(27)25-13-15-26(16-14-25)30(28,29)22-11-8-19-3-1-2-4-20(19)17-22/h1-7,9-10,12,17H,8,11,13-16H2/b12-7+
PubChem CID	71295857
ChEMBL	CHEMBL3560117
IUPHAR	N/A
BindingDB	N/A
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	1.15 nM	PubChem BioAssay data set	ChEMBL

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