BioLiP

PDB

BioLiP

PDB CCD ID:

A1EBP

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O2

InChI:

InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1

InChIKey:

SZJNCZMRZAUNQT-IUCAKERBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)C[CH]1NC(=O)[CH]2CCCN2C1=O
CACTVS 3.385	CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O
OpenEye OEToolkits 2.0.7	CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
OpenEye OEToolkits 2.0.7	CC(C)CC1C(=O)N2CCCC2C(=O)N1

Name:

(3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;
Cyclo(L-Leu-L-Pro)

ChEMBL:

CHEMBL508326

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).