Ligand
Ligand Name:   Amoxicillin
Ligand Type:   non-polymer
Ligand ID:   COVPDB516 PubChem:   33613
Synonym(s):  
  •   amoxycillin
  • 26787-78-0
  • amoxicillin anhydrous
  • amoxicilline
  • p-hydroxyampicillin
  • amopenixin
  • amolin
  • moxal
  • d-amoxicillin
  • clamoxyl
  • amoxil
  • amoxicillinum
  • amoxicilina
  • imacillin
  • hiconcil
  • moxatag
  • robamox
  • amoxicilina [inn-spanish]
  • amoxicillin trihydrate
  • amoxicilline [inn-french]
  • amoxicillinum [inn-latin]
  • alpha-amino-p-hydroxybenzylpenicillin
  • histocillin
  • amoclen
  • flemoxin
  • unicillin
  • ampc
  • amoxycillin trihydrate
  • brl-2333
  • amoxicillin crystalline
  • 6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid
  • amoxicillin (inn)
  • amoxicillin [inn]
  • chebi:2676
  • (2s,5r,6r)-6-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • unii-9em05410q9
  • amoxicillin hydrate
  • bristamox
  • delacillin
  • amoxiden
  • amoxivet
  • anemolin
  • aspenil
  • cemoxin
  • efpenix
  • piramox
  • vetramox
  • amoxi
  • sumox
  • (2s,5r,6r)-6-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • amoxi-mast
  • sawamox pm
  • metafarma capsules
  • metifarma capsules
  • (2s,5r,6r)-6-((r)-2-amino-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • ospamox
  • amopen
  • amoxicillin, 96%
  • 9em05410q9
  • nsc-277174
  • amoxicaps
  • d-2-amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid
  • brl 2333
  • apo-amoxi
  • amox
  • dsstox_cid_17044
  • dsstox_rid_79299
  • dsstox_gsid_37044
  • ax
  • amoxicillin pediatric
  • amoxicillanyl
  • amoxicillin (anhydrous)
  • amoxicillintrihydrate
  • blp 1410
  • d-(-)-alpha-amino-p-hydroxybenzylpenicillin
  • amoxicillin (tn)
  • (2s,5r,6r)-6-[(2r)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • smr000058707
  • amoxicillin (amoxycillin)
  • ro 10-8756
  • hsdb 3204
  • einecs 248-003-8
  • bl-p 1410
  • 6-(d-(-)-p-hydroxy-alpha-aminobenzyl)penicillin
  • nsc 277174
  • amoxycilin
  • amoxi-inject
  • amoxi-tabs
  • nsc277174
  • notoginsenoside-fe
  • 6-(d-(-)-alpha-amino-p-hydroxyphenylacetamido)penicillanic acid
  • ncgc00016797-02
  • ncgc00094586-01
  • prestwick_713
  • cas-26787-78-0
  • (-)-6-(2-amino-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo-(3.2.0)heptane-2-carboxylic acid
  • mfcd00056860
  • prestwick0_000357
  • prestwick1_000357
  • prestwick2_000357
  • prestwick3_000357
  • epitope id:114241
  • epitope id:116054
  • ec 248-003-8
  • schembl3427
  • chembl1082
  • bspbio_000453
  • mls000028632
  • mls002222248
  • spbio_002374
  • bpbio1_000499
  • dtxsid3037044
  • chebi:53712
  • gtpl10895
  • hy-b0467a
  • hms1569g15
  • hms2096g15
  • hms2231k23
  • hms3259p17
  • hms3713g15
  • zinc3830215
  • tox21_111302
  • bdbm50350464
  • s3015
  • akos025395540
  • tox21_111302_1
  • ccg-220357
  • db01060
  • ds-3835
  • mcule-5710225015
  • nc00670
  • ne41275
  • 6beta-[(2r)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid
  • ncgc00179554-01
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2r)-amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, (2s,5r,6r)-
  • 4-thia-1-azobicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta(s)))-
  • ac-12263
  • amoxicillin, potency: >=900 mug per mg
  • co-amoxiclav (amoxicillin + clavulanic acid)
  • c06827
  • d07452
  • q201928
  • sr-01000721886
  • sr-01000721886-2
  • brd-k55044200-001-03-9
  • brd-k55044200-001-15-3
  • (2s,5r,6r)-6-[[(2r)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-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-(2-amino-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-, d- (8ci)
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino (4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2s-[2.alpha.,5.alpha.,6.beta.(s*)]]-
show 148 synonym(s)
DrugBank:   DB01060 ChEMBL:   CHEMBL1082
Canonical SMILES:   CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O
Standard InChI:   InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
Molecular Formula:   C16H19N3O5S Mol. Weight:   365.10455 logP:   0.0237
HBD:   4 HBA:   6
#Rotatable Bonds:   4 TPSA:   132.96

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) 3N7W AXL
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SHOW
Penicillin-binding protein PbpB L0T911 (PBPB_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 6KGV AXL
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SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1LL9 AXL
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SHOW