Ligand
Ligand Name:   dicloxacillin
Ligand Type:   non-polymer
Ligand ID:   COVPDB727 PubChem:   18381
Synonym(s):  
  •   dicloxacilina
  • dicloxacilline
  • dicloxacillinum
  • dicloxacilin
  • 3116-76-5
  • dicloxacycline
  • diclossacillina [dcit]
  • dynapen
  • dicloxacilina [inn-spanish]
  • dicloxacilline [inn-french]
  • dicloxacillinum [inn-latin]
  • pathocil
  • dycill
  • maclicine
  • unii-cof19h7wbk
  • r-13423
  • chebi:4511
  • cof19h7wbk
  • brl-1702
  • (2s,5r,6r)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • diclossacillina
  • (2s,5r,6r)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylpenicillin
  • methyldichlorophenylisoxazolylpenicillin
  • dicloxacillin [usan:inn:ban]
  • 6-(3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • hsdb 3222
  • einecs 221-488-3
  • dicloxacillin (usan/inn)
  • 6-(3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid
  • nm|| dicloxacillin
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta))-
  • spectrum_000932
  • prestwick0_000450
  • prestwick1_000450
  • prestwick2_000450
  • prestwick3_000450
  • spectrum2_000981
  • spectrum3_000386
  • spectrum4_000507
  • spectrum5_000869
  • chembl893
  • epitope id:181860
  • schembl23955
  • bspbio_000500
  • bspbio_002171
  • kbiogr_001053
  • kbioss_001412
  • divk1c_000658
  • spbio_001041
  • spbio_002439
  • bpbio1_000550
  • dtxsid1022924
  • kbio1_000658
  • kbio2_001412
  • kbio2_003980
  • kbio2_006548
  • kbio3_001391
  • ninds_000658
  • zinc3978006
  • bdbm50350476
  • akos016010072
  • db00485
  • idi1_000658
  • (2s,5r,6r)-6-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylic acid
  • sbi-0051342.p003
  • c06950
  • d02348
  • 1-(4-chloro-benzyl)-piperidine-4-carboxylicacid
  • 116d765
  • q2313471
  • brd-k05673000-323-02-8
  • 3-(2,6-dichlorophenyl)-5-methyl-4-isooxazolylpenicillin
  • (2s,5r,6r)-6-(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)-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-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2s,5r,6r)-
show 76 synonym(s)
DrugBank:   DB00485 ChEMBL:   CHEMBL893
Canonical SMILES:   Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl
Standard InChI:   InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
Molecular Formula:   C19H17Cl2N3O5S Mol. Weight:   469.0266 logP:   3.20212
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) 4R23 DXU
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