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BioLiP

PDB CCD ID: PPN
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N2 O4
InChI: InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey: GTVVZTAFGPQSPC-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-]
CACTVS 3.341N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-]
CACTVS 3.341N[CH](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
ACDLabs 10.04[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O
Name:PARA-NITROPHENYLALANINE
ZINC: ZINC000000043864
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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