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BioLiP

PDB CCD ID: 2T3
Number of entries in BioLiP: 0
Chemical formula: C10 H11 N O5
InChI: InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1
InChIKey: ZWXNRJCDXZFNLJ-HTQZYQBOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)C(C(C(=O)O)O)O
CACTVS 3.341O[CH]([CH](O)C(=O)Nc1ccccc1)C(O)=O
ACDLabs 10.04O=C(Nc1ccccc1)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O
CACTVS 3.341O[C@H]([C@@H](O)C(=O)Nc1ccccc1)C(O)=O
Name:(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID
ZINC: ZINC000002379613
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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