BioLiP

PDB

BioLiP

PDB CCD ID:

OX8

Number of entries in BioLiP:

Chemical formula:

C18 H32 N4 O6

InChI:

InChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24)

InChIKey:

GTADQMQBQBOJIO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
OpenEye OEToolkits 3.1.0.0	C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O

Name:

1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone

ZINC:

ZINC000005133869

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).