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BioLiP

PDB CCD ID: FPM
Number of entries in BioLiP: 3
Chemical formula: C12 H15 N O5 S
InChI: InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
InChIKey: HGGAKXAHAYOLDJ-FHZUQPTBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O
CACTVS 3.341C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3
OpenEye OEToolkits 1.5.0CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O
CACTVS 3.341C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C(O)=O)[CH]3CCCO3
ACDLabs 10.04O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O
Name:(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;
Faropenem
ChEMBL: CHEMBL556262
DrugBank: DB12190
ZINC: ZINC000003959242
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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