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BioLiP Library

PDB CCD ID: 93K
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N3 O
InChI: InChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11)
InChIKey: RGJXMMUQTCONEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1C(=O)N)N)N
CACTVS 3.385NC(=O)c1ccc(N)c(N)c1
Name:3,4-bis(azanyl)benzamide
ZINC: ZINC000021987657
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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