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BioLiP

PDB CCD ID: 61M
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N O3
InChI: InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)
InChIKey: POAXUNDIOGWQOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccccc1C(=O)CC(O)=O
OpenEye OEToolkits 2.0.4c1ccc(c(c1)C(=O)CC(=O)O)N
ACDLabs 12.01C(C(O)=O)C(c1ccccc1N)=O
Name:3-(2-aminophenyl)-3-oxopropanoic acid;
2-aminobenzoylacetate
ZINC: ZINC000059345360
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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