BioLiP

PDB

BioLiP

PDB CCD ID:

8LC

Number of entries in BioLiP:

Chemical formula:

C22 H28 N2 O6

InChI:

InChI=1S/C22H28N2O6/c25-17-11-7-9-15(19(17)27)21(29)23-13-5-3-1-2-4-6-14-24-22(30)16-10-8-12-18(26)20(16)28/h7-12,25-28H,1-6,13-14H2,(H,23,29)(H,24,30)

InChIKey:

DREKRZFIOMALFJ-UHFFFAOYSA-N

SMILES:

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

Name:

N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE)

ZINC:

ZINC000169538413

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).