BioLiP

PDB

BioLiP

PDB CCD ID:

X1J

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O

InChI:

InChI=1S/C10H12N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-4H,5-6,11H2,1H3

InChIKey:

YIOYWZUOBVMFGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)N1Cc2ccc(cc2C1)N
ACDLabs 12.01	c2c1c(CN(C1)C(=O)C)ccc2N
CACTVS 3.385	CC(=O)N1Cc2ccc(N)cc2C1

Name:

1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one

ZINC:

ZINC000068591508

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).