BioLiP

PDB

BioLiP

PDB CCD ID:

K8V

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O7

InChI:

InChI=1S/C13H13NO7/c15-10(2-1-3-11(16)17)14-7-4-5-8(12(18)19)9(6-7)13(20)21/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

InChIKey:

XOVXZYVADZDQHJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O
ACDLabs 12.01	c1(NC(CCCC(=O)O)=O)ccc(c(c1)C(O)=O)C(O)=O

Name:

4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic 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).