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	CHEMBL88999
Molecular formula	C7H9NO4S
IUPAC name	(4S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Molecular weight	203.212
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-3.5
Synonyms	LY389795 (4S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid LY 389795 BDBM50089897 D06PAK 4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxylic acid(LY389795) LY-389795 GTPL3349 [ Show all ]
Inchi Key	QBHIOYZCUZBIEN-RSWQVWFLSA-N
Inchi ID	InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
PubChem CID	10058694
ChEMBL	CHEMBL88999
IUPHAR	N/A
BindingDB	50089897
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
274101	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
274097	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
274096	Metabotropic glutamate receptor 3	Q14832	GRM3	Homo sapiens (Human)	879
274095	Metabotropic glutamate receptor 4	Q14833	GRM4	Homo sapiens (Human)	912
274099	Metabotropic glutamate receptor 5	P41594	GRM5	Homo sapiens (Human)	1212
274098	Metabotropic glutamate receptor 6	O15303	GRM6	Homo sapiens (Human)	877
274100	Metabotropic glutamate receptor 7	Q14831	GRM7	Homo sapiens (Human)	915
274094	Metabotropic glutamate receptor 8	O00222	GRM8	Homo sapiens (Human)	908

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