BioLiP

PDB

BioLiP

PDB CCD ID:

9AC

Number of entries in BioLiP:

Chemical formula:

C14 H9 N O2

InChI:

InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)

InChIKey:

IYRYQBAAHMBIFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1c2ccccc2nc3ccccc13
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c3ccccc3n2)C(=O)O
ACDLabs 10.04	O=Cc1c3c(nc2c1cccc2)cccc3

Name:

9-ACRIDINECARBONYL;
9-ACRIDINOYL

ZINC:

ZINC000004100749

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).