BioLiP

PDB

BioLiP

PDB CCD ID:

PXJ

Number of entries in BioLiP:

Chemical formula:

C20 H24 N2 O6

InChI:

InChI=1S/C20H24N2O6/c23-15-9-5-7-13(17(15)25)19(27)21-11-3-1-2-4-12-22-20(28)14-8-6-10-16(24)18(14)26/h5-10,23-26H,1-4,11-12H2,(H,21,27)(H,22,28)

InChIKey:

JWUBPLNIABBTRS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(C(=O)NCCCCCCNC(=O)c2cccc(O)c2O)c1O
OpenEye OEToolkits 1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O

Name:

N,N'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)

ChEMBL:

CHEMBL5285407

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).