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	CHEMBL367027
Molecular formula	C12H12N2O5
IUPAC name	(2S)-2-amino-3-[4-(4-hydroxyphenyl)-3-oxo-1,2-oxazol-5-yl]propanoic acid
Molecular weight	264.237
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	-2.3
Synonyms	2-Amino-3-[3-hydroxy-4-(4-hydroxy-phenyl)-isoxazol-5-yl]-propionic acid (S)-2-Amino-3-[4-(4-hydroxyphenyl)-3-hydroxyisoxazole-5-yl]propionic acid BDBM50109653
Inchi Key	AWHJMTINWUANCP-QMMMGPOBSA-N
Inchi ID	InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
PubChem CID	44385546
ChEMBL	CHEMBL367027
IUPHAR	N/A
BindingDB	50109653
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
16023	Metabotropic glutamate receptor 1	P23385	Grm1	Rattus norvegicus (Rat)	1199
16026	Metabotropic glutamate receptor 2	P31421	Grm2	Rattus norvegicus (Rat)	872
557722	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872
16024	Metabotropic glutamate receptor 4	P31423	Grm4	Rattus norvegicus (Rat)	912
16025	Metabotropic glutamate receptor 5	P31424	Grm5	Rattus norvegicus (Rat)	1203

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