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BioLiP

PDB CCD ID: 73G
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N O4
InChI: InChI=1S/C14H15NO4/c1-2-3-8-19-12(16)9-15-11-7-5-4-6-10(11)13(17)14(15)18/h4-7H,2-3,8-9H2,1H3
InChIKey: KSZFFJNYVZVNIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CCCCOC(=O)CN1c2ccccc2C(=O)C1=O
CACTVS 3.385CCCCOC(=O)CN1C(=O)C(=O)c2ccccc12
Name:butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
ZINC: ZINC000009583261
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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