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BioLiP Library

PDB CCD ID: 9G2
Number of entries in BioLiP: 0
Chemical formula: C9 H16 N4 O2
InChI: InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1
InChIKey: TVRCAVYCEUWWJW-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1cn(nn1)CCCC(C(=O)O)N
CACTVS 3.385CCc1cn(CCC[CH](N)C(O)=O)nn1
OpenEye OEToolkits 2.0.6CCc1cn(nn1)CCC[C@@H](C(=O)O)N
CACTVS 3.385CCc1cn(CCC[C@H](N)C(O)=O)nn1
Name:(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid
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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