BioLiP

PDB

BioLiP

PDB CCD ID:

XLX

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O6

InChI:

InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)

InChIKey:

JUHMDCQKNGDTCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O
CACTVS 3.370	OC(=O)CCCC(=O)NCCNC(=O)CCC(O)=O
ACDLabs 12.01	O=C(NCCNC(=O)CCC(=O)O)CCCC(=O)O

Name:

4,4'-(ethylenediimino)bis[4-oxobutyrate];
1,2-bis(maleimido)ethane, hydrolyzed open form

ZINC:

ZINC000098209610

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).