SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C7 H5 I N2 O3

InChI:

InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)

InChIKey:

MDOJTZQKHMAPBK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c(cc1C(=O)N)[N+](=O)[O-])I
ACDLabs 12.01	Ic1ccc(cc1[N+](=O)[O-])C(=O)N
CACTVS 3.385	NC(=O)c1ccc(I)c(c1)[N+]([O-])=O

Name:

4-iodo-3-nitrobenzamide;
Iniparib

ChEMBL:

DrugBank:

ZINC:

ZINC000033963533

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).