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	158930-48-4
Molecular formula	C7H12N2O2
IUPAC name	methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate
Molecular weight	156.185
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	-1.0
Synonyms	3-pyridinecarboxylic acid,6-amino-2,3,4,5-tetrahydro-,methyl ester CHEMBL553602 6-Amino-2,3,4,5-tetrahydro-3-pyridinecarboxylic acid methyl ester Methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate 158832-45-2 BDBM50039848 3-Pyridinecarboxylicacid,6-amino-2,3,4,5-tetrahydro-,methylester(9CI) KB-184721 6-Amino-2,3,4,5-tetrahydro-pyridine-3-carboxylic acid methyl ester; hydrochloride SCHEMBL8309304 CHEMBL1194965 L008011 AKOS027399303 [ Show all ]
Inchi Key	NDYOGNUJWRYXIH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H12N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9)
PubChem CID	10012139
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50039848
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
220974	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
220973	Muscarinic acetylcholine receptor M3	Q9ERZ3	Chrm3	Mus musculus (Mouse)	589

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