BioLiP

PDB

BioLiP

PDB CCD ID:

A1JFA

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O5

InChI:

InChI=1S/C13H13NO5/c1-7(15)10-11(14-19-12(10)13(16)17)8-3-5-9(18-2)6-4-8/h3-7,15H,1-2H3,(H,16,17)/t7-/m0/s1

InChIKey:

OUKPMYRBFFIDOB-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(c1c(noc1C(=O)O)c2ccc(cc2)OC)O
CACTVS 3.385	COc1ccc(cc1)c2noc(C(O)=O)c2[C@H](C)O
OpenEye OEToolkits 2.0.7	C[C@@H](c1c(noc1C(=O)O)c2ccc(cc2)OC)O
CACTVS 3.385	COc1ccc(cc1)c2noc(C(O)=O)c2[CH](C)O

Name:

3-(4-methoxyphenyl)-4-[(1~{S})-1-oxidanylethyl]-1,2-oxazole-5-carboxylic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).