BioLiP

PDB

BioLiP

PDB CCD ID:

DQ4

Number of entries in BioLiP:

Chemical formula:

C13 H11 N3 O4

InChI:

InChI=1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)/t9-/m1/s1

InChIKey:

IICWMVJMJVXCLY-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1
CACTVS 3.385	Nc1ccc2C(=O)N([C@@H]3CCC(=O)NC3=O)C(=O)c2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1N)C(=O)N(C2=O)C3CCC(=O)NC3=O
ACDLabs 12.01	O=C1NC(=O)CCC1N1C(=O)c2ccc(N)cc2C1=O
OpenEye OEToolkits 2.0.7	c1cc2c(cc1N)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O

Name:

5-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione

ZINC:

ZINC000029389579

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).