BioLiP

PDB

BioLiP

PDB CCD ID:

2IO

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2 O2

InChI:

InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1

InChIKey:

XWYXUMDVQIOAPR-UWVGGRQHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O
CACTVS 3.385	CC(C)C[CH]1NC(=O)[CH](CC(C)C)NC1=O
OpenEye OEToolkits 2.0.7	CC(C)CC1C(=O)NC(C(=O)N1)CC(C)C
OpenEye OEToolkits 2.0.7	CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C

Name:

(3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione;
cyclo(L-Leu-L-Leu);
Leucinimid;
2,5-Piperazinedione, 3,6-bis(2-methylpropyl);
137006

ChEMBL:

CHEMBL1957404

ZINC:

ZINC000001763536

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).