Ligand
Ligand Name:   cloxacillin
Ligand Type:   non-polymer
Ligand ID:   COVPDB664 PubChem:   6098
Synonym(s):  
  •   cloxacillinum
  • cloxacilina
  • cloxacilline
  • syntarpen
  • tegopen
  • 61-72-3
  • methocillin s
  • cloxacillin sodium
  • clossacillina [dcit]
  • unii-o6x5qgc2vb
  • (3-(o-chlorophenyl)-5-methyl-4-isoxazolyl)penicillin
  • chebi:49566
  • 6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid
  • o6x5qgc2vb
  • chembl891
  • (2s,5r,6r)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • chloroxacillin
  • clossacillina
  • (2s,5r,6r)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • cloxacillin [inn:ban]
  • cloxacilina [inn-spanish]
  • cloxacilline [inn-french]
  • cloxacillinum [inn-latin]
  • brl 1621
  • methylchlorphenylisoxazoryl-penicillin
  • tegopen (sodium monohydrate)
  • orbenin (tn)
  • cloxacillin (inn)
  • brl-1621
  • mcipc
  • hsdb 3042
  • einecs 200-514-7
  • p-25 (sodium monohydrate)
  • cloxacillinna
  • cloxapen (sodium monohydrate)
  • brl-1621 (sodium monohydrate)
  • (2s,5r,6r)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • cloxacillin ,(s)
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta))-
  • 6-(((3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • spectrum_001345
  • cloxacillin, antibiotic for culture media use only
  • prestwick0_000186
  • prestwick1_000186
  • prestwick2_000186
  • prestwick3_000186
  • spectrum2_001143
  • spectrum3_000360
  • spectrum4_000296
  • spectrum5_000783
  • epitope id:120363
  • schembl2953
  • bspbio_000111
  • bspbio_002059
  • kbiogr_000852
  • kbioss_001825
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-
  • divk1c_000736
  • spbio_001065
  • spbio_002032
  • bpbio1_000123
  • dtxsid5022853
  • gtpl11126
  • kbio1_000736
  • kbio2_001825
  • kbio2_004393
  • kbio2_006961
  • kbio3_001279
  • brl1621
  • ninds_000736
  • bcp24144
  • zinc3875417
  • bdbm50022788
  • db01147
  • idi1_000736
  • (2s,5r,6r)-6-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-s-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-
  • sbi-0051319.p003
  • c06923
  • d07733
  • 242c583
  • q422219
  • w-105105
  • brd-k01244426-236-05-5
  • brd-k01244426-236-08-9
  • 6-(3-o-chlorophenyl-5-methylisoxazol-4-ylamido)penicillanic acid
  • (2s,5r,6r)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-{[3-(2-chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2s,5r,6r)-
  • 6-{[3-(2-chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
show 90 synonym(s)
DrugBank:   DB01147 ChEMBL:   CHEMBL891
Canonical SMILES:   Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl
Standard InChI:   InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
Molecular Formula:   C19H18ClN3O5S Mol. Weight:   435.06558 logP:   2.54872
HBD:   2 HBA:   6
#Rotatable Bonds:   4 TPSA:   112.74

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) 4R1G CXU
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Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1FCM CXU
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D-alanyl-D-alanine carboxypeptidase DacA P0AEB2 (DACA_ECOLI) Escherichia coli (strain K12) 3MZD CXV
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