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	Taste receptor type 2 member 14
Species	Homo sapiens (Human)
Gene	TAS2R14
Synonym	T2R14 TAS2R14 Taste receptor family B member 1 taste receptor, type 2, member 14 TRB1
Disease	N/A
Length	317
Amino acid sequence	MGGVIKSIFTFVLIVEFIIGNLGNSFIALVNCIDWVKGRKISSVDRILTALAISRISLVWLIFGSWCVSVFFPALFATEKMFRMLTNIWTVINHFSVWLATGLGTFYFLKIANFSNSIFLYLKWRVKKVVLVLLLVTSVFLFLNIALINIHINASINGYRRNKTCSSDSSNFTRFSSLIVLTSTVFIFIPFTLSLAMFLLLIFSMWKHRKKMQHTVKISGDASTKAHRGVKSVITFFLLYAIFSLSFFISVWTSERLEENLIILSQVMGMAYPSCHSCVLILGNKKLRQASLSVLLWLRYMFKDGEPSGHKEFRESS
UniProt	Q9NYV8
Protein Data Bank	N/A
GPCR-HGmod model	Q9NYV8
3D structure model	This predicted structure model is from GPCR-EXP Q9NYV8.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3309105
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	AC1NSIFU
Molecular formula	C18H25N5O3S
IUPAC name	7-ethyl-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Molecular weight	391.49
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.9
Synonyms	MolPort-003-040-968 CHEMBL1499181 SCHEMBL1279938 7-ethyl-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione MCULE-7867844771 SR-01000007935-1 AKOS024592655 regid7970319 F0654-0145 SMR000017953 852169-22-3 MLS000102214 ZINC4138877 REGID_for_CID_5310181 7-ethyl-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione HMS2240M22 SR-01000007935 [ Show all ]
Inchi Key	IKSHHOBCJKJKOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25N5O3S/c1-5-12-19-15-14(17(25)22(4)18(26)21(15)3)16(20-12)27-10-13(24)23-8-6-11(2)7-9-23/h11H,5-10H2,1-4H3
PubChem CID	5310181
ChEMBL	CHEMBL1499181
IUPHAR	N/A
BindingDB	211239
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	721.0 nM	None	ChEMBL
IC50	721.0 nM	N/A	BindingDB

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