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BioLiP

PDB CCD ID: R5G
Number of entries in BioLiP: 3
Chemical formula: C17 H15 N3 O4
InChI: InChI=1S/C17H15N3O4/c21-16(18-23)13-3-1-11(2-4-13)10-20-8-7-12-5-6-14(9-15(12)20)17(22)19-24/h1-9,23-24H,10H2,(H,18,21)(H,19,22)
InChIKey: IRJZGNPPEWBPKI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO
ACDLabs 12.01c2cc1c(cc(C(=O)NO)cc1)n2Cc3ccc(C(NO)=O)cc3
Name:N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide
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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