BioLiP

PDB

BioLiP

PDB CCD ID:

63X

Number of entries in BioLiP:

Chemical formula:

C19 H17 N O5

InChI:

InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)

InChIKey:

DJEIHHYCDCTAAH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3
ACDLabs 12.01	c3(OC)ccc(c2c(CC(O)=O)onc2c1ccc(OC)cc1)cc3
OpenEye OEToolkits 2.0.6	COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O

Name:

Mofezolac;
[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid

ChEMBL:

CHEMBL259972

ZINC:

ZINC000000003767

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).