BioLiP

PDB

BioLiP

PDB CCD ID:

A1ICF

Number of entries in BioLiP:

Chemical formula:

C15 H12 Cl N O3

InChI:

InChI=1S/C15H12ClNO3/c16-14-8-4-2-6-12(14)10-20-17-9-11-5-1-3-7-13(11)15(18)19/h1-9H,10H2,(H,18,19)/b17-9+

InChIKey:

PCLMKKSPQIKZFL-RQZCQDPDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccccc1\C=N\OCc2ccccc2Cl
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CON=Cc2ccccc2C(=O)O)Cl
CACTVS 3.385	OC(=O)c1ccccc1C=NOCc2ccccc2Cl

Name:

2-[(2-chlorophenyl)methoxyiminomethyl]benzoic acid;
(E)-2-((((2-chlorobenzyl)oxy)imino)methyl)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).