BioLiP

PDB

BioLiP

PDB CCD ID:

ZS7

Number of entries in BioLiP:

Chemical formula:

C8 H6 N2 O

InChI:

InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)

InChIKey:

MMBYJYAFFGKUDC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=NC2=O)N
ACDLabs 12.01 CACTVS 3.385	NC1=NC(=O)c2ccccc12

Name:

3-amino-1H-isoindol-1-one

ZINC:

ZINC000004528689

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).