BioLiP

PDB

BioLiP

PDB CCD ID:

AQC

Number of entries in BioLiP:

Chemical formula:

C15 H9 N O3

InChI:

InChI=1S/C15H9NO3/c16-15(19)8-5-6-11-12(7-8)14(18)10-4-2-1-3-9(10)13(11)17/h1-7H,(H2,16,19)

InChIKey:

RMBCGKBEXUZXEN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N
CACTVS 3.341	NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
ACDLabs 10.04	O=C(N)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3

Name:

9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

ZINC:

ZINC000005002669

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).