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BioLiP

PDB CCD ID: ZT7
Number of entries in BioLiP: 2
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:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CC(=O)n1cc2ccc(N)cc2c1
OpenEye OEToolkits 2.0.7CC(=O)n1cc2ccc(cc2c1)N
Name:1-(5-amino-2H-isoindol-2-yl)ethan-1-one
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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