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BioLiP

PDB CCD ID: BHH
Number of entries in BioLiP: 2
Chemical formula: C5 H13 N3 O
InChI: InChI=1S/C5H13N3O/c1-2-3-4-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)
InChIKey: ULDDTFAPYWLDGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCNC(=N)NO
ACDLabs 10.04[N@H]=C(NCCCC)NO
Name:N-BUTYL-N'-HYDROXYGUANIDINE
ChEMBL: CHEMBL308745
DrugBank: DB02727
ZINC: ZINC000013536006
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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