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BioLiP

PDB CCD ID: KOV
Number of entries in BioLiP: 1
Chemical formula: C16 H16 N4 O8 S
InChI: InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
InChIKey: JFPVXVDWJQMJEE-IZRZKJBUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)COC(N)=O)c3occc3
ACDLabs 12.01O=C(O)C=2N3C(=O)C(NC(=O)C(=N\OC)/c1occc1)C3SCC=2COC(=O)N
OpenEye OEToolkits 1.7.6CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
CACTVS 3.370CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(N)=O)/c3occc3
OpenEye OEToolkits 1.7.6CON=C(c1ccco1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
Name:(6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
Cefuroxime
ChEMBL: CHEMBL1436
DrugBank: DB01112
ZINC: ZINC000003871978
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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