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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	US9212196, Derivative 34
Molecular formula	C14H19FNO8P
IUPAC name	(2R)-2-amino-4-[[4-(carboxymethoxy)-3-fluoro-5-methoxyphenyl]methyl-hydroxyphosphoryl]butanoic acid
Molecular weight	379.277
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	-3.2
Synonyms	BDBM196938
Inchi Key	HLWOFNYCURCWQU-SNVBAGLBSA-N
Inchi ID	InChI=1S/C14H19FNO8P/c1-23-11-5-8(4-9(15)13(11)24-6-12(17)18)7-25(21,22)3-2-10(16)14(19)20/h4-5,10H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t10-/m1/s1
PubChem CID	122197964
ChEMBL	N/A
IUPHAR	N/A
BindingDB	196938
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
560962	Metabotropic glutamate receptor 4	P31423	Grm4	Rattus norvegicus (Rat)	912
560961	Metabotropic glutamate receptor 7	P35400	Grm7	Rattus norvegicus (Rat)	915
560963	Metabotropic glutamate receptor 8	P70579	Grm8	Rattus norvegicus (Rat)	908

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