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	N-arachidonyl glycine receptor
Species	Homo sapiens (Human)
Gene	GPR18
Synonym	GPCRW G-protein coupled receptor 18 N-arachidonoyol glycine receptor NAGly receptor GPR18
Disease	N/A
Length	331
Amino acid sequence	MITLNNQDQPVPFNSSHPDEYKIAALVFYSCIFIIGLFVNITALWVFSCTTKKRTTVTIYMMNVALVDLIFIMTLPFRMFYYAKDEWPFGEYFCQILGALTVFYPSIALWLLAFISADRYMAIVQPKYAKELKNTCKAVLACVGVWIMTLTTTTPLLLLYKDPDKDSTPATCLKISDIIYLKAVNVLNLTRLTFFFLIPLFIMIGCYLVIIHNLLHGRTSKLKPKVKEKSIRIIITLLVQVLVCFMPFHICFAFLMLGTGENSYNPWGAFTTFLMNLSTCLDVILYYIVSKQFQARVISVMLYRNYLRSMRRKSFRSGSLRSLSNINSEML
UniProt	Q14330
Protein Data Bank	N/A
GPCR-HGmod model	Q14330
3D structure model	This predicted structure model is from GPCR-EXP Q14330.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2384898
IUPHAR	89
DrugBank	BE0002304

Ligand

Name	CHEMBL470224
Molecular formula	C20H20O2
IUPAC name	3-benzyl-8-methyl-5-propan-2-ylchromen-2-one
Molecular weight	292.378
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.3
Synonyms	BDBM50278475 D01RWS 3-Benzyl-5-isopropyl-8-methylchromen-2-one
Inchi Key	PFSLDHWSUPFZPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20O2/c1-13(2)17-10-9-14(3)19-18(17)12-16(20(21)22-19)11-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3
PubChem CID	16066912
ChEMBL	CHEMBL470224
IUPHAR	N/A
BindingDB	50278475
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	12.0 %	PMID23679955	ChEMBL
IC50	<10000.0 nM	PMID23679955	BindingDB,ChEMBL

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