BioLiP

PDB

BioLiP

PDB CCD ID:

NL8

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2 O4

InChI:

InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20)

InChIKey:

BCONCFRKDGKCRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O
CACTVS 3.385	CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O

Name:

~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide

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).