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BioLiP Library

PDB CCD ID: 83O
Number of entries in BioLiP: 1
Chemical formula: C5 H8 N4 O2
InChI: InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m0/s1
InChIKey: CAPORZWUTKSILW-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](Cc1[nH]cnn1)C(O)=O
OpenEye OEToolkits 2.0.6c1[nH]c(nn1)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6c1[nH]c(nn1)CC(C(=O)O)N
CACTVS 3.385N[CH](Cc1[nH]cnn1)C(O)=O
Name:(2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid
ChEMBL: CHEMBL4284682
ZINC: ZINC000006119233
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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