BioLiP

PDB

BioLiP

PDB CCD ID:

5LC

Number of entries in BioLiP:

Chemical formula:

C19 H22 N2 O6

InChI:

InChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)

InChIKey:

BRWLZTCRFJVZDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O
OpenEye OEToolkits 1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O
CACTVS 3.385	Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O

Name:

N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)

ChEMBL:

CHEMBL494328

ZINC:

ZINC000040431154

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).