SEQ2FUN

BioLiP

PDB CCD ID: RIX
Number of entries in BioLiP: 1
Chemical formula: C11 H8 Cl N O3
InChI: InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3
InChIKey: QRAIXQAFCRLHNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COC(=O)C(=O)n1ccc2c1cccc2Cl
CACTVS 3.385COC(=O)C(=O)n1ccc2c(Cl)cccc12
Name:methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).