BioLiP

PDB

BioLiP

PDB CCD ID:

9BI

Number of entries in BioLiP:

Chemical formula:

C14 H21 N3 O3

InChI:

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

InChIKey:

XWKAYUOSXSESEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1

Name:

4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide

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).