Covpdb









Ligand
Ligand Name:   Cephalotin
Ligand Type:   non-polymer
Ligand ID:   COVPDB435 PubChem:   6024
Synonym(s):  
  •   cephalothin
  • cefalotin
  • 153-61-7
  • cefalothin
  • cephalothinum
  • (6r,7r)-3-(acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • cefalotina
  • cefalotine
  • cefalotinum
  • cemastin
  • 7-(2-thienylacetamido)cephalosporanic acid
  • coaxin
  • keflin
  • seffin
  • cefalotine [inn-french]
  • cefalotinum [inn-latin]
  • cefalotina [inn-spanish]
  • averon-1
  • 7-(thiophene-2-acetamido)cephalosporin
  • 3-acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid
  • unii-r72lw146e6
  • cefalotin sodium
  • c16h16n2o6s2
  • chebi:124991
  • (6r,7r)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • mls001048966
  • 7-(2'-thienylacetamido)cephalosporanic acid
  • (6r,7r)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • r72lw146e6
  • ncgc00159332-02
  • smr000386987
  • dsstox_cid_2783
  • dsstox_rid_76728
  • dsstox_gsid_22783
  • cefalotin (ban)
  • 7-(thiophene-2-acetamido)cephalosporanic acid
  • (6r,7r)-3-(acetoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-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-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, (6r,7r)-
  • cas-153-61-7
  • 7-(2-(2-thienyl)acetylamido)cephalosporanic acid
  • hsdb 3024
  • cefalotina fabra (tn)
  • einecs 205-815-7
  • brn 0945586
  • cephalotin acid
  • 6r-trans-3-((acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-carboxylic acid
  • 4kox
  • cefalotin [inn]
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-, (6r,7r)-
  • 3-(acetoxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate
  • spectrum_000110
  • prestwick0_000719
  • prestwick1_000719
  • prestwick2_000719
  • prestwick3_000719
  • spectrum2_000121
  • spectrum3_000332
  • spectrum4_000269
  • spectrum5_000669
  • chembl617
  • epitope id:116207
  • cid_6024
  • schembl2990
  • lopac0_000283
  • bspbio_000937
  • bspbio_001963
  • kbiogr_000738
  • kbioss_000550
  • 3-acetoxymethyl-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-, (6r-trans)-
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-, acetate (ester)
  • divk1c_000097
  • spbio_000162
  • spbio_002858
  • bpbio1_001031
  • gtpl8798
  • dtxsid4022783
  • schembl20477170
  • bdbm82898
  • hy-b1275a
  • kbio1_000097
  • kbio2_000550
  • kbio2_003118
  • kbio2_005686
  • kbio3_001183
  • ninds_000097
  • hms2267p23
  • zinc3830507
  • tox21_111579
  • mfcd00242614
  • s5294
  • akos015920120
  • tox21_111579_1
  • acn-045431
  • ccg-268605
  • cs-w008776
  • db00456
  • gs-3577
  • sdccgsbi-0050271.p005
  • 7beta-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid
  • idi1_000097
  • ncgc00023699-09
  • (6r,7r)-3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • sbi-0050271.p004
  • 7-(2-thienylacetamido) cephalosporanic acid
  • 7-(2-thienylacetamido)-cephalosporanic acid
  • c07761
  • d07635
  • s-1796
  • 153c617
  • cephalothin, antibiotic for culture media use only
  • sr-01000003118
  • q2736126
  • sr-01000003118-3
  • brd-k28210218-236-05-7
  • z1741977144
  • cephalothin 7-(2-thienylacetamido)cephalosporanic acid
  • 3-acetoxymethyl-7beta-(2-thienylacetamido) ceph-3-em-4-carboxylic acid
  • 3-acetoxymethyl-7beta-(2-thienylacetamido)-3-cephem-4-carboxylic acid
  • 3-acetoxymethyl-7beta-(2-thienylacetamido)ceph-3-em-4-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[(acetyloxy)methyl]-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
show 125 synonym(s)
DrugBank:   DB00456 ChEMBL:   CHEMBL617
Canonical SMILES:   CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O
Standard InChI:   InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
Molecular Formula:   C16H16N2O6S2 Mol. Weight:   396.04498 logP:   0.5923
HBD:   2 HBA:   7
#Rotatable Bonds:   6 TPSA:   113.01

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Carboxylesterase K4HQE7 (K4HQE7_9BACT) uncultured bacterium 4IVK CEP Ki : 140000 nM PDBBind SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 6WHF 9EP
-
-
SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1KVM CEO
-
-
SHOW
Peptidoglycan glycosyltransferase C8W8H7 (C8W8H7_ATOPD) Atopobium parvulum (strain ATCC 33793 / DSM 20469 / JCM 10300 / VPI 0546) (Streptococcus parvulus) (Peptostreptococcus parvulus) 4R0Q CEP
-
-
SHOW
Beta-lactamase P9WKD3 (BLAC_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 3NDE 9EP
-
-
SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1KVL KCP
-
-
SHOW
D-alanyl-D-alanine carboxypeptidase P15555 (DAC_STRSR) Streptomyces sp. (strain R61) 1CEG CEP
-
-
SHOW
Beta-lactamase Toho-1 Q47066 (BLT1_ECOLX) Escherichia coli 1IYP CEP
-
-
SHOW
Beta-lactamase Toho-1 Q47066 (BLT1_ECOLX) Escherichia coli 2ZQ9 CEO
-
-
SHOW