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BioLiP

PDB CCD ID: LDL
Number of entries in BioLiP: 2
Chemical formula: C19 H20 N8 O
InChI: InChI=1S/C19H20N8O/c20-24-18(28)15-3-1-13(2-4-15)11-27-12-17(25-26-27)14-5-7-16(8-6-14)23-19-21-9-10-22-19/h1-8,12H,9-11,20H2,(H,24,28)(H2,21,22,23)
InChIKey: FNWSHZHKFUFPQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)C(=O)NN
CACTVS 3.385NNC(=O)c1ccc(Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)cc1
Name:4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide
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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