BioLiP

PDB

BioLiP

PDB CCD ID:

19Z

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O4

InChI:

InChI=1S/C14H13N3O4/c15-14(19)12-7-10(17(20)21)3-6-13(12)16-8-9-1-4-11(18)5-2-9/h1-7,16,18H,8H2,(H2,15,19)

InChIKey:

MCZVEVRDKZUUIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	[O-][N+](=O)c2ccc(NCc1ccc(O)cc1)c(C(=O)N)c2
OpenEye OEToolkits 1.7.2	c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O
CACTVS 3.370	NC(=O)c1cc(ccc1NCc2ccc(O)cc2)[N+]([O-])=O

Name:

2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide

ChEMBL:

CHEMBL1728427

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).