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BioLiP

PDB CCD ID: 5LB
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N5 O2
InChI: InChI=1S/C7H13N5O2/c8-1-2-12-4-5(10-11-12)3-6(9)7(13)14/h4,6H,1-3,8-9H2,(H,13,14)/t6-/m0/s1
InChIKey: CDWRPPPJESVLJS-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1c(nnn1CCN)CC(C(=O)O)N
OpenEye OEToolkits 2.0.4c1c(nnn1CCN)C[C@@H](C(=O)O)N
CACTVS 3.385NCCn1cc(C[CH](N)C(O)=O)nn1
CACTVS 3.385NCCn1cc(C[C@H](N)C(O)=O)nn1
Name:(2~{S})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic 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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