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BioLiP

PDB CCD ID: Q83
Number of entries in BioLiP: 3
Chemical formula: C15 H18 N2 O5
InChI: InChI=1S/C15H18N2O5/c18-14(4-2-1-3-5-15(19)20)16-9-8-11-6-7-12(17(21)22)10-13(11)16/h6-7,10H,1-5,8-9H2,(H,19,20)
InChIKey: YZWRRAZXWGNXFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCC(=O)N1CCc2ccc(cc12)[N](=O)=O
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1N(=O)=O)N(CC2)C(=O)CCCCCC(=O)O
Name:7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid
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).
  • 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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