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BioLiP Library

PDB CCD ID: 2TQ
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N O3
InChI: InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChIKey: RJPDELAUUYAFTQ-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[C@@H]1CC[C@H]2CC(=O)N12
OpenEye OEToolkits 1.7.6C1CC(N2C1CC2=O)C(=O)O
OpenEye OEToolkits 1.7.6C1C[C@H](N2[C@@H]1CC2=O)C(=O)O
CACTVS 3.385OC(=O)[CH]1CC[CH]2CC(=O)N12
ACDLabs 12.01O=C(O)C2N1C(=O)CC1CC2
Name:(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
ZINC: ZINC000014619009
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)(download the PDF file).
  • 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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