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BioLiP

PDB CCD ID: RL6
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl2 N O
InChI: InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3
InChIKey: IETDZXPYBWJKDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl
CACTVS 3.385CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12
Name:1-[3,4-bis(chloranyl)-5-methyl-indol-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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