SEQ2FUN

BioLiP

PDB CCD ID: F05
Number of entries in BioLiP: 12
Chemical formula: C8 H8 N2
InChI: InChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2,(H2,9,10)
InChIKey: MTKKGHVQPVOXIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CN=C2N
ACDLabs 12.01c1cccc2c1cnc2N
Name:1H-isoindol-3-amine
ChEMBL: CHEMBL1617729
ZINC: ZINC000000127291
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).