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BioLiP

PDB CCD ID: A1LWQ
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N O3
InChI: InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13)
InChIKey: HWDZIRSKXFAMFU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1CC(=O)C(=O)O)N
CACTVS 3.385Nc1ccc(CC(=O)C(O)=O)cc1
Name:3-(4-aminophenyl)-2-oxidanylidene-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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