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BioLiP

PDB CCD ID: T0O
Number of entries in BioLiP: 3
Chemical formula: C3 H3 Cl N2
InChI: InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey: BQRBAXFOPZRMCU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c([nH]cn1)Cl
CACTVS 3.385Clc1[nH]cnc1
ACDLabs 12.01Clc1cnc[NH]1
Name:5-chloro-1H-imidazole
ZINC: ZINC000004771902
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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