BioLiP

PDB

BioLiP

PDB CCD ID:

4Z1

Number of entries in BioLiP:

Chemical formula:

C8 H6 Cl2 N2 O3

InChI:

InChI=1S/C8H6Cl2N2O3/c9-4-1-2-6(5(10)3-4)11-12-7(13)8(14)15/h1-3,11H,(H,12,13)(H,14,15)

InChIKey:

LEIUKVPEVMKZOI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C(=O)NNc1ccc(Cl)cc1Cl
ACDLabs 12.01	c1c(cc(c(NNC(C(=O)O)=O)c1)Cl)Cl
OpenEye OEToolkits 1.9.2	c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O

Name:

[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid

ZINC:

ZINC000038342300

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).