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BioLiP

PDB CCD ID: 4II
Number of entries in BioLiP: 0
Chemical formula: C9 H10 N4 O2
InChI: InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1
InChIKey: NEMHIKRLROONTL-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1CC(C(=O)O)N)N=[N+]=[N-]
OpenEye OEToolkits 2.0.6c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-]
CACTVS 3.385N[C@@H](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
CACTVS 3.385N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
Name:(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid
ZINC: ZINC000015721946
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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