SEQ2FUN

BioLiP

PDB CCD ID: QO6
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O
InChI: InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey: WOYOJAPRKMBKEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC(=O)Nc1ccc2c(c1)CCC2
CACTVS 3.385CC(=O)Nc1ccc2CCCc2c1
Name:N-(2,3-dihydro-1H-inden-5-yl)acetamide;
~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide
ChEMBL: CHEMBL63607
ZINC: ZINC000000128916
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).