BioLiP

PDB

BioLiP

PDB CCD ID:

9DL

Number of entries in BioLiP:

Chemical formula:

C14 H21 N3 O3

InChI:

InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18)

InChIKey:

ZPXKDKFZPZUKPI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(CCCCC(=O)NO)CC(=O)Nc1ccccc1
ACDLabs 12.01	O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO

Name:

5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide

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).