BioLiP

PDB

BioLiP

PDB CCD ID:

DVO

Number of entries in BioLiP:

Chemical formula:

C15 H12 N2 O6

InChI:

InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1

InChIKey:

VWVJRXADTDRXRW-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(=O)O
OpenEye OEToolkits 2.0.7	C[C@]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(=O)O
CACTVS 3.385	C[C@]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(O)=O
CACTVS 3.385	C[C]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(O)=O
ACDLabs 12.01	O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O

Name:

2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

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).