BioLiP

PDB

BioLiP

PDB CCD ID:

5LI

Number of entries in BioLiP:

Chemical formula:

C10 H10 Cl2 N2 O3

InChI:

InChI=1S/C10H10Cl2N2O3/c11-8-3-1-2-7(9(8)12)10(16)13-4-5-14(17)6-15/h1-3,6,17H,4-5H2,(H,13,16)

InChIKey:

QOBOQKAHMKWYEE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1c(C(=O)NCCN(O)C=O)cccc1Cl
CACTVS 3.370	ON(CCNC(=O)c1cccc(Cl)c1Cl)C=O
OpenEye OEToolkits 1.7.2	c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O

Name:

2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide

ZINC:

ZINC000003818099

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).