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 3
Molecular formula	C14H20NO9P
IUPAC name	(2R)-2-amino-4-[[[4-(carboxymethoxy)-3-methoxyphenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
Molecular weight	377.286
Hydrogen bond acceptor	10
Hydrogen bond donor	5
XlogP	-3.9
Synonyms	BDBM196907
Inchi Key	LNLCIHWIBXKXQU-UCWRFOARSA-N
Inchi ID	InChI=1S/C14H20NO9P/c1-23-11-6-8(2-3-10(11)24-7-12(16)17)14(20)25(21,22)5-4-9(15)13(18)19/h2-3,6,9,14,20H,4-5,7,15H2,1H3,(H,16,17)(H,18,19)(H,21,22)/t9-,14?/m1/s1
PubChem CID	122197935
ChEMBL	N/A
IUPHAR	N/A
BindingDB	196907
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
563330	Metabotropic glutamate receptor 4	P31423	Grm4	Rattus norvegicus (Rat)	912
563329	Metabotropic glutamate receptor 6	P35349	Grm6	Rattus norvegicus (Rat)	871
563327	Metabotropic glutamate receptor 7	P35400	Grm7	Rattus norvegicus (Rat)	915
563328	Metabotropic glutamate receptor 8	P70579	Grm8	Rattus norvegicus (Rat)	908

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