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BioLiP

PDB CCD ID: 3VX
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h2-6H,1H3,(H,12,13)
InChIKey: IBLLSZUYVXWELO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cc2c(cc1)C(=O)C=C2)C
CACTVS 3.385CC(=O)Nc1ccc2C(=O)C=Cc2c1
OpenEye OEToolkits 1.9.2CC(=O)Nc1ccc2c(c1)C=CC2=O
Name:N-(1-oxo-1H-inden-5-yl)acetamide
ChEMBL: CHEMBL3581510
ZINC: ZINC000263620543
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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