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BioLiP

PDB CCD ID: C7K
Number of entries in BioLiP: 2
Chemical formula: C18 H26 N4 O5
InChI: InChI=1S/C18H26N4O5/c23-16(24)10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15(22(25)26)18-17(14)20-27-21-18/h11-12,19H,1-10,13H2,(H,23,24)
InChIKey: YPOHVKMXKUSZRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCCCCCCCNc1ccc(c2nonc12)[N](=O)=O
OpenEye OEToolkits 2.0.6c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O
Name:12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid
ZINC: ZINC000004521714
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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