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	CHEMBL543097
Molecular formula	C14H18N2O5
IUPAC name	(2R,4R)-4-amino-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
Molecular weight	294.307
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-4.6
Synonyms	(2R,4R)-4-amino-1-(4-methoxybenzyl)pyrrolidine-2,4-dicarboxylic acid dihydrochloride CHEMBL1191930 (2R)-1-(4-Methoxybenzyl)-4-aminopyrrolidine-2beta,4alpha-dicarboxylic acid BDBM50102112
Inchi Key	ANHIKCHPSCZODL-BXUZGUMPSA-N
Inchi ID	InChI=1S/C14H18N2O5/c1-21-10-4-2-9(3-5-10)7-16-8-14(15,13(19)20)6-11(16)12(17)18/h2-5,11H,6-8,15H2,1H3,(H,17,18)(H,19,20)/t11-,14-/m1/s1
PubChem CID	44300737
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50102112
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
459301	Metabotropic glutamate receptor 2	P31421	Grm2	Rattus norvegicus (Rat)	872
9566	Metabotropic glutamate receptor 3	P31422	Grm3	Rattus norvegicus (Rat)	879
557553	Metabotropic glutamate receptor 6	P35349	Grm6	Rattus norvegicus (Rat)	871

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