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BioLiP

PDB CCD ID: PH3
Number of entries in BioLiP: 6
Chemical formula: C7 H8 Cl N3 O
InChI: InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)
InChIKey: JYBXKTLYOMPMQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341ONC(=N)Nc1ccc(Cl)cc1
ACDLabs 10.04Clc1ccc(NC(=[N@H])NO)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1NC(=N)NO)Cl
Name:N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE
ChEMBL: CHEMBL323202
DrugBank: DB04559
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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