BioLiP

PDB

BioLiP

PDB CCD ID:

L57

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl2 N O3

InChI:

InChI=1S/C15H11Cl2NO3/c16-12-7-6-11(8-13(12)17)15(18-21-9-14(19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)/b18-15-

InChIKey:

MCSPXNMZLCEQOD-SDXDJHTJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CON=C(c1ccccc1)c2ccc(Cl)c(Cl)c2
CACTVS 3.385	OC(=O)CO\N=C(c1ccccc1)/c2ccc(Cl)c(Cl)c2
ACDLabs 12.01	Clc2c(cc(/C(c1ccccc1)=N\OCC(O)=O)cc2)Cl
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(=NOCC(=O)O)c2ccc(c(c2)Cl)Cl
OpenEye OEToolkits 1.9.2	c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl

Name:

({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid

ZINC:

ZINC000584905592

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).