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BioLiP Library

PDB CCD ID: MZZ
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 O
InChI: InChI=1S/C10H9N3O/c11-9-3-1-8(2-4-9)10(14)13-6-5-12-7-13/h1-7H,11H2
InChIKey: HFAQMYBPGXYUBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1ccc(cc1)C(=O)n2ccnc2
ACDLabs 12.01O=C(c1ccc(N)cc1)n2ccnc2
OpenEye OEToolkits 1.7.2c1cc(ccc1C(=O)n2ccnc2)N
Name:(4-aminophenyl)-imidazol-1-yl-methanone
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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