BioLiP

PDB

BioLiP

PDB CCD ID:

CDX

Number of entries in BioLiP:

Chemical formula:

C11 H16 N4 O4

InChI:

InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1

InChIKey:

BMKDZUISNHGIBY-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
CACTVS 3.341	C[CH](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
ACDLabs 10.04	O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2

Name:

(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE;
ICRF-187

ChEMBL:

CHEMBL1231714

ZINC:

ZINC000087515510

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).