Ligand
Ligand Name:   Cefamandole
Ligand Type:   non-polymer
Ligand ID:   COVPDB1462 PubChem:   456255
Synonym(s):  
  •   cefadole
  • cephadole
  • cephamandole
  • 34444-01-4
  • cefamandol
  • cefamandolum
  • l-cefamandole
  • compound 83405
  • unii-5ckp8c2lli
  • chebi:3480
  • 5ckp8c2lli
  • (6r,7r)-7-(r)-mandelamido-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid
  • (6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • kefdole
  • (6r,7r)-7-[[(2r)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • kefamandol
  • mancef
  • (6r,7r)-7-((r)-2-hydroxy-2-phenylacetamido)-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 30034-03-8
  • cefamandol [inn-spanish]
  • cefamandole (usan/inn)
  • cefamandolum [inn-latin]
  • free form
  • cefamandole [usan:inn:ban]
  • einecs 252-030-0
  • brn 0598510
  • prestwick0_000747
  • prestwick1_000747
  • prestwick2_000747
  • prestwick3_000747
  • epitope id:141490
  • 7-d-mandelamido-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid
  • chembl1146
  • schembl37287
  • bspbio_000734
  • compound-83405
  • spbio_002673
  • bpbio1_000808
  • dtxsid7022750
  • j01dc03
  • hy-b1128
  • zinc3830394
  • bdbm50350468
  • akos025401365
  • ac-1294
  • cs-4724
  • db01326
  • (6r,7r)-7-[[(2r)-2-hydroxy-2-phenyl-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)thio]methyl}-8-oxo-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, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, (6r-(6alpha,7beta(r*)))-
  • 7beta-[(2r)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid
  • c06879
  • d02344
  • 444c014
  • cefamandole, antibiotic for culture media use only
  • q2601530
  • w-106736
  • brd-k27130738-236-03-4
  • (6r,7r)-7-((r)-2-hydroxy-2-phenylacetamido)-3-((1-methyl-1h-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[(2r)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1h-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-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, 7-[[(2r)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1h-tetrazol-5-yl)thio]methyl]-8-oxo-, (6r,7r)-
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2r)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1h-tetrazol-5-yl)thio]methyl]-8-oxo-, 6r,7r)-
show 61 synonym(s)
DrugBank:   DB01326 ChEMBL:   CHEMBL1146
Canonical SMILES:   Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Standard InChI:   InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Molecular Formula:   C18H18N6O5S2 Mol. Weight:   462.078 logP:   -0.2256
HBD:   3 HBA:   10
#Rotatable Bonds:   7 TPSA:   150.54

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P9WKD3 (BLAC_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 3N8S XD2
-
-
SHOW