BioLiP

PDB

BioLiP

PDB CCD ID:

A1INJ

Number of entries in BioLiP:

Chemical formula:

C28 H19 N3 O6

InChI:

InChI=1S/C28H19N3O6/c29-24-19(28(36)37)13-21(22-23(24)26(33)17-9-5-4-8-16(17)25(22)32)31-15-10-11-20(18(12-15)27(34)35)30-14-6-2-1-3-7-14/h1-13,30-31H,29H2,(H,34,35)(H,36,37)

InChIKey:

ZHWHOYJCXUJFDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Nc2ccc(cc2C(=O)O)Nc3cc(c(c4c3C(=O)c5ccccc5C4=O)N)C(=O)O
CACTVS 3.385	Nc1c(cc(Nc2ccc(Nc3ccccc3)c(c2)C(O)=O)c4C(=O)c5ccccc5C(=O)c14)C(O)=O

Name:

1-azanyl-4-[(3-carboxy-4-phenylazanyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

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).