Ligand
Ligand Name:   cefapirin
Ligand Type:   non-polymer
Ligand ID:   COVPDB640 PubChem:   30699
Synonym(s):  
  •   cephapirin
  • cephapirine
  • cefaprin
  • 21593-23-7
  • cefapirina
  • cefapirine
  • cefapirinum
  • cefadyl
  • cepr
  • cefapirine [inn-french]
  • cefapirinum [inn-latin]
  • cefapirina [inn-spanish]
  • cefatrexyl
  • ambrocef
  • cefatrex
  • chebi:554446
  • 7-(2-(4-pyridylthio)acetamido)cephalosporanic acid
  • unii-89b59h32vn
  • 89b59h32vn
  • cefaprin sodium
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-(((4-pyridinylthio)acetyl)amino)-, (6r-trans)-
  • cefa
  • cefapirin [inn:ban]
  • antibiotic bl-p1322
  • cefapirin (ban)
  • metricure (tn)
  • (6r,7r)-3-(acetoxymethyl)-8-oxo-7-(2-(pyridin-4-ylthio)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 24356-60-3
  • cefapilin
  • 356c603
  • cefa-lak
  • hsdb 3215
  • cefa -ak
  • einecs 244-466-5
  • brn 1095157
  • nsc179171
  • spectrum_000112
  • prestwick0_000851
  • prestwick1_000851
  • prestwick2_000851
  • spectrum2_000103
  • spectrum3_000333
  • spectrum4_000270
  • spectrum5_000671
  • epitope id:116226
  • schembl3205
  • chembl1599
  • lopac0_000279
  • bspbio_001965
  • kbiogr_000740
  • kbioss_000552
  • (6r,7r)-3-(acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
  • 3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamidol-5-thia-1-azabicyclo(4.2.0)oct-2-en-2carbonsaeure acetat
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-, acetate (ester)
  • divk1c_000042
  • spbio_000086
  • spbio_002782
  • cephalosporanic acid, 7-(2-(4-pyridylthio)acetamido)-
  • dtxsid9022784
  • kbio1_000042
  • kbio2_000552
  • kbio2_003120
  • kbio2_005688
  • kbio3_001185
  • ninds_000042
  • zinc3830511
  • bdbm50370592
  • akos015896499
  • db01139
  • idi1_000042
  • (6r,7r)-3-[(acetyloxy)methyl]-8-oxo-7-{[(pyridin-4-ylthio)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-acetoxymethyl-7-[(pyridin-4-ylsulfanyl)acetamido]-3,4-didehydrocepham-4-carboxylic acid
  • sbi-0050267.p004
  • c06896
  • d07636
  • q549803
  • j-014163
  • (6r,7r)-3-(acetoxymethyl)-8-oxo-7-[[2-(4-pyridylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(pyridin-4-ylsulfanyl)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-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6r,7r)-
show 80 synonym(s)
DrugBank:   DB01139 ChEMBL:   CHEMBL1599
Canonical SMILES:   CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc1ccncc1)C2=O)C(O)=O
Standard InChI:   InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1
Molecular Formula:   C17H17N3O6S2 Mol. Weight:   423.05588 logP:   0.4754
HBD:   2 HBA:   8
#Rotatable Bonds:   7 TPSA:   125.9

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Peptidoglycan glycosyltransferase C8W8H7 (C8W8H7_ATOPD) Atopobium parvulum (strain ATCC 33793 / DSM 20469 / JCM 10300 / VPI 0546) (Streptococcus parvulus) (Peptostreptococcus parvulus) 4R3J CFU
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