BioLiP

PDB

BioLiP

PDB CCD ID:

WEU

Number of entries in BioLiP:

Chemical formula:

C11 H14 Cl N3 O2

InChI:

InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17)

InChIKey:

HVHGXWXMENEHFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1
OpenEye OEToolkits 2.0.7	CC(=O)NNC(=O)CN(C)c1ccc(cc1)Cl

Name:

2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide

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).