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BioLiP

PDB CCD ID: GVA
Number of entries in BioLiP: 4
Chemical formula: C6 H13 N3 O2
InChI: InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)
InChIKey: UKUBCVAQGIZRHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\NCCCCC(=O)O
CACTVS 3.341NC(=N)NCCCCC(O)=O
OpenEye OEToolkits 1.5.0[H]N=C(N)NCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCNC(=[N@H])N
Name:5-{[AMINO(IMINO)METHYL]AMINO}PENTANOIC ACID;
5-GUANIDINOVALERIC ACID
ChEMBL: CHEMBL178889
ZINC: ZINC000004654884
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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