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BioLiP

PDB CCD ID: RFO
Number of entries in BioLiP: 1
Chemical formula: C11 H10 Cl N O2
InChI: InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
InChIKey: SLZGAMVJAWAHJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCC(=O)n1ccc2c(Cl)cccc12
OpenEye OEToolkits 3.1.0.0COCC(=O)n1ccc2c1cccc2Cl
Name:1-(4-chloranylindol-1-yl)-2-methoxy-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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