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BioLiP

PDB CCD ID: Z0I
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13)
InChIKey: DCOHDTHCOCZQTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1cccc2c1[nH]cc2
CACTVS 3.385CC(=O)Nc1cccc2cc[nH]c12
ACDLabs 12.01CC(=O)Nc1cccc2cc[NH]c12
Name:N-(1H-indol-7-yl)acetamide
ZINC: ZINC000044628667
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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