BioLiP

PDB

BioLiP

PDB CCD ID:

T34

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O2

InChI:

InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)

InChIKey:

PZBARTUEWCQNSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	Cc1ccc(cc1NCc2ccccc2)C(=O)NO

Name:

4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide

ChEMBL:

CHEMBL4101727

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).