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BioLiP

PDB CCD ID: G0R
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N4 O
InChI: InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)
InChIKey: JMACEDIUUMWDIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NCCCCNC(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(/N)\NCCCCNC(=O)C
CACTVS 3.385CC(=O)NCCCCNC(N)=N
Name:N-(4-carbamimidamidobutyl)ethanamide
ZINC: ZINC000001529357
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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