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BioLiP

PDB CCD ID: RIQ
Number of entries in BioLiP: 1
Chemical formula: C10 H9 Cl2 N O
InChI: InChI=1S/C10H9Cl2NO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3
InChIKey: FSLARAPYXMNEFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC(=O)N1CCc2c1ccc(c2Cl)Cl
CACTVS 3.385CC(=O)N1CCc2c(Cl)c(Cl)ccc12
Name:1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
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)(download the PDF file).
  • 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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