BioLiP

PDB

BioLiP

PDB CCD ID:

A1IQU

Number of entries in BioLiP:

Chemical formula:

C18 H14 N3 O2

InChI:

InChI=1S/C18H13N3O2/c22-18(20-23)13-9-7-12(8-10-13)17-16-6-3-11-21(16)15-5-2-1-4-14(15)19-17/h1-11H,(H2,19,20,22,23)/p+1

InChIKey:

UIYKYEMVZGDMRC-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[nH]c(c-3ccc[n+]23)c4ccc(cc4)C(=O)NO
CACTVS 3.385	ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3[n+]4cccc24

Name:

~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)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).