BioLiP

PDB

BioLiP

PDB CCD ID:

L8C

Number of entries in BioLiP:

Chemical formula:

C13 H19 N3 O2

InChI:

InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17)

InChIKey:

VMDZCGSWWDTUMR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO
ACDLabs 12.01	ONC(=O)c1ccc(cc1)CN1CCN(C)CC1

Name:

N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide

ChEMBL:

CHEMBL5203383

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).