BioLiP

PDB

BioLiP

PDB CCD ID:

J61

Number of entries in BioLiP:

Chemical formula:

C9 H9 Cl N2 O2

InChI:

InChI=1S/C9H9ClN2O2/c1-6(13)11-12-9(14)7-4-2-3-5-8(7)10/h2-5H,1H3,(H,11,13)(H,12,14)

InChIKey:

JARLZRSFUFGXQH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)NNC(=O)c1ccccc1Cl
ACDLabs 12.01	N(C(c1ccccc1Cl)=O)NC(=O)C

Name:

N'-acetyl-2-chlorobenzohydrazide

ZINC:

ZINC000000333595

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).