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BioLiP

PDB CCD ID: 5MW
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N5 O2
InChI: InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1
InChIKey: STKLNEOQJAUXGX-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1c(nnn1CCC[C@@H](C(=O)O)N)CN
CACTVS 3.385NCc1cn(CCC[CH](N)C(O)=O)nn1
OpenEye OEToolkits 2.0.4c1c(nnn1CCCC(C(=O)O)N)CN
CACTVS 3.385NCc1cn(CCC[C@H](N)C(O)=O)nn1
Name:(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
ZINC: ZINC000584904900
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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