Ligand
Ligand Name:   cefoxitin
Ligand Type:   non-polymer
Ligand ID:   COVPDB85 PubChem:   441199
Synonym(s):  
  •   35607-66-0
  • mefoxin
  • cephoxitin
  • cefoxitina
  • cefoxitine
  • cefoxitinum
  • rephoxitin
  • mefoxitin
  • ceftoxitin
  • unii-6oev9dx57y
  • cenomycin
  • cfx
  • chebi:209807
  • chembl996
  • 6oev9dx57y
  • dsstox_cid_2764
  • dsstox_rid_76721
  • dsstox_gsid_22764
  • (6r,7s)-3-((carbamoyloxy)methyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6r,7s)-
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6r-cis)-
  • cas-35607-66-0
  • ncgc00183034-01
  • cefoxitine [inn-french]
  • cefoxitinum [inn-latin]
  • cefoxitina [inn-spanish]
  • cefoxotin
  • cefoxitin [usan:inn:ban]
  • 4kow
  • mk306
  • (6r,7s)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, (6r,7s)-
  • einecs 252-641-2
  • mfcd00072014
  • spectrum_001399
  • cefoxitin (usan/inn)
  • prestwick0_000832
  • prestwick1_000832
  • prestwick2_000832
  • prestwick3_000832
  • spectrum2_000676
  • spectrum3_001491
  • spectrum4_000153
  • spectrum5_001145
  • epitope id:116201
  • c06887
  • schembl15971
  • bspbio_000783
  • bspbio_003101
  • kbiogr_000626
  • kbioss_001879
  • divk1c_000576
  • spbio_000771
  • spbio_002704
  • bpbio1_000863
  • dtxsid1022764
  • gtpl10937
  • kbio1_000576
  • kbio2_001879
  • kbio2_004447
  • kbio2_007015
  • kbio3_002601
  • j01dc01
  • ninds_000576
  • (6r,7s)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • bcp09061
  • zinc3830449
  • tox21_113009
  • bdbm50335563
  • s5951
  • akos022185232
  • tox21_113009_1
  • db01331
  • ds-5384
  • idi1_000576
  • ncgc00093351-06
  • (6r,7s)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid carbamate (ester)
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, (6r-cis)-
  • ak118716
  • sbi-0051927.p002
  • ab0072765
  • (6r,7r)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-4-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6s,7r)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6s,7r)-4-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 3-carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 3-carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion
  • 3-carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-3-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion
  • d02345
  • 607c660
  • a822898
  • q2353907
  • (6r,7s)-3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-{[(aminocarbonyl)oxy]methyl}-7-(methyloxy)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-4-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-enyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-,(6r,7s)-
show 103 synonym(s)
DrugBank:   DB01331 ChEMBL:   CHEMBL996
Canonical SMILES:   CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O
Standard InChI:   InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1
Molecular Formula:   C16H17N3O7S2 Mol. Weight:   427.05078 logP:   0.0986
HBD:   3 HBA:   8
#Rotatable Bonds:   7 TPSA:   148.26

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q9L5C8 (Q9L5C8_ECOLX) Escherichia coli 1YMX 1QL
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SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 6PT5 1S7
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SHOW
D-alanyl-D-alanine carboxypeptidase DacA P0AEB2 (DACA_ECOLI) Escherichia coli (strain K12) 3MZE 1QL
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SHOW
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 6PT5 1S7
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SHOW
Beta-lactamase P00808 (BLAC_BACLI) Bacillus licheniformis 1I2W 1QL
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SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 4KEN 1S7
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SHOW