Zhang Lab

University of Michigan

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 ●DMFold ●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	CHEMBL197629
Molecular formula	C7H10N2O5
IUPAC name	5-(2-amino-2-carboxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Molecular weight	202.166
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-3.4
Synonyms	5-(2-amino-3-hydroxy-3-oxopropyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid BDBM50174517 SCHEMBL5082446 5-(2-Amino-2-carboxy-ethyl)-4,5-dihydro-isoxazole-3-carboxylic acid AC1NDNVX
Inchi Key	AUXNPKGXCSBLJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)
PubChem CID	4628822
ChEMBL	CHEMBL197629
IUPHAR	N/A
BindingDB	50174517
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
15044	Metabotropic glutamate receptor 1	P23385	Grm1	Rattus norvegicus (Rat)	1199
15042	Metabotropic glutamate receptor 2	P31421	Grm2	Rattus norvegicus (Rat)	872
557688	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
15043	Metabotropic glutamate receptor 4	P31423	Grm4	Rattus norvegicus (Rat)	912

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218