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	Uracil nucleotide/cysteinyl leukotriene receptor
Species	Homo sapiens (Human)
Gene	GPR17
Synonym	GPR17 P2Y-like receptor G-protein coupled receptor 17 R12 UDP/CysLT receptor uracil nucleotide/cysteinyl leukotriene receptor [ Show all ]
Disease	N/A
Length	367
Amino acid sequence	MSKRSWWAGSRKPPREMLKLSGSDSSQSMNGLEVAPPGLITNFSLATAEQCGQETPLENMLFASFYLLDFILALVGNTLALWLFIRDHKSGTPANVFLMHLAVADLSCVLVLPTRLVYHFSGNHWPFGEIACRLTGFLFYLNMYASIYFLTCISADRFLAIVHPVKSLKLRRPLYAHLACAFLWVVVAVAMAPLLVSPQTVQTNHTVVCLQLYREKASHHALVSLAVAFTFPFITTVTCYLLIIRSLRQGLRVEKRLKTKAVRMIAIVLAIFLVCFVPYHVNRSVYVLHYRSHGASCATQRILALANRITSCLTSLNGALDPIMYFFVAEKFRHALCNLLCGKRLKGPPPSFEGKTNESSLSAKSEL
UniProt	Q13304
Protein Data Bank	N/A
GPCR-HGmod model	Q13304
3D structure model	This predicted structure model is from GPCR-EXP Q13304.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075162
IUPHAR	88
DrugBank	N/A

Ligand

Name	Mdl-29951
Molecular formula	C12H9Cl2NO4
IUPAC name	3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
Molecular weight	302.107
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.9
Synonyms	2-Carboxy-4,6-dichloro-1H-indole-3-propanoic acid AKOS026750250 HY-16312 NCGC00163269-01 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid BDBM50004952 DB04175 Maybridge3_007017 QC-10015 130798-51-5 AB0097988 BRD-K59753853-001-01-5 HMS1450O21 3-(2-Carboxy-4,6-dichloroindol-3-yl)propionic acid AOB2316 CHEMBL31344 IDI1_018404 NCGC00163269-02 4CA-0801 Biomol-NT_000207 EX-A270 MCULE-9198907003 SCHEMBL8463078 1lev AC1L9K90 CCG-251602 HMS3604I17 MolPort-002-922-641 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID BCP08592 CS-1958 KB-78296 Oprea1_596892 BPBio1_001266 FT-0700161 Mdl 29951 ZINC4763 [ Show all ]
Inchi Key	KNBSYZNKEAWABY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
PubChem CID	446916
ChEMBL	CHEMBL31344
IUPHAR	N/A
BindingDB	50004952
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	100.0 %	None	ChEMBL
EC50	6.31 nM	None	ChEMBL
EC50	331.0 nM	MedChemComm, (2014) 5:1:86	ChEMBL
EC50	812.83 nM	None	ChEMBL
Kd	1256.0 nM	PMID24900835	BindingDB
Ki	1210.0 nM	PMID24900835	BindingDB,ChEMBL
Ki	2320.0 nM	PMID24900835	BindingDB,ChEMBL
T1/2	0.005 hr	PMID24900835	ChEMBL
T1/2	0.03 hr	PMID24900835	ChEMBL

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