BioLiP

PDB

BioLiP

PDB CCD ID:

A1ICE

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O4

InChI:

InChI=1S/C16H15NO4/c1-20-15-5-3-2-4-14(15)11-21-17-10-12-6-8-13(9-7-12)16(18)19/h2-10H,11H2,1H3,(H,18,19)/b17-10-

InChIKey:

ODQLHMZOMGQUQG-YVLHZVERSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccccc1CO\N=C/c2ccc(cc2)C(O)=O
OpenEye OEToolkits 2.0.7	COc1ccccc1CON=Cc2ccc(cc2)C(=O)O
OpenEye OEToolkits 2.0.7	COc1ccccc1CO/N=C\c2ccc(cc2)C(=O)O
CACTVS 3.385	COc1ccccc1CON=Cc2ccc(cc2)C(O)=O

Name:

4-[(~{Z})-(2-methoxyphenyl)methoxyiminomethyl]benzoic 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).