BioLiP

PDB

BioLiP

PDB CCD ID:

ZT7

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O

InChI:

InChI=1S/C10H10N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-6H,11H2,1H3

InChIKey:

QUEOWOVPZRUSRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	CC(=O)n1cc2ccc(N)cc2c1
OpenEye OEToolkits 2.0.7	CC(=O)n1cc2ccc(cc2c1)N

Name:

1-(5-amino-2H-isoindol-2-yl)ethan-1-one

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).