SEQ2FUN

BioLiP

PDB CCD ID: A1CDN
Number of entries in BioLiP: 5
Chemical formula: C9 H11 N O
InChI: InChI=1S/C9H11NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h2-4,10H,5-6H2,1H3
InChIKey: DCDSDKAYJZLMEX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc2CNCc12
OpenEye OEToolkits 3.1.0.0COc1cccc2c1CNC2
ACDLabs 14.52COc1cccc2CNCc21
Name:4-methoxy-2,3-dihydro-1H-isoindole
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).