BioLiP

PDB

BioLiP

PDB CCD ID:

95C

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O4

InChI:

InChI=1S/C15H13N3O4/c16-15(20)12-7-6-11(18(21)22)9-13(12)17-14(19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,20)(H,17,19)

InChIKey:

YCAFMCMKNHYQFE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1ccc(cc1NC(=O)Cc2ccccc2)[N+]([O-])=O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]
ACDLabs 12.01	c1(C(=O)N)ccc(cc1NC(Cc2ccccc2)=O)[N+]([O-])=O

Name:

4-nitro-2-[(phenylacetyl)amino]benzamide

ChEMBL:

CHEMBL424701

ZINC:

ZINC000040812324

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).