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BioLiP

PDB CCD ID: 1QB
Number of entries in BioLiP: 2
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/h2-3,6H,4-5,7H2,1H3,(H,12,13)
InChIKey: KSMIDXVYBNGOED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(=O)NC1=CCC2=C(CC=C2)C1
OpenEye OEToolkits 1.7.6CC(=O)NC1=CCC2=C(C1)CC=C2
ACDLabs 12.01O=C(NC2=CCC=1C=CCC=1C2)C
Name:N-(4,7-dihydro-1H-inden-6-yl)acetamide
ZINC: ZINC000095920953
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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