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BioLiP

PDB CCD ID: W3M
Number of entries in BioLiP: 6
Chemical formula: C4 H3 N3
InChI: InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
InChIKey: NWVGXXPWOYZODV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c([nH]cn1)C#N
ACDLabs 12.01n1cncc1C#N
CACTVS 3.385N#Cc1[nH]cnc1
Name:1H-imidazole-5-carbonitrile
ZINC: ZINC000026898378
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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