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BioLiP

PDB CCD ID: HJ8
Number of entries in BioLiP: 2
Chemical formula: C7 H12 N4 O3
InChI: InChI=1S/C7H12N4O3/c1-2-11-5(6(12)9-10-11)3-4(8)7(13)14/h4,12H,2-3,8H2,1H3,(H,13,14)/t4-/m0/s1
InChIKey: ROBLGUMDXHEHOO-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCn1nnc(O)c1C[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CCn1c(c(nn1)O)CC(C(=O)O)N
CACTVS 3.385CCn1nnc(O)c1C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6CCn1c(c(nn1)O)C[C@@H](C(=O)O)N
Name:(2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-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).
  • 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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