Ligand
Ligand Name:   PENICILLIN G
Ligand Type:   non-polymer
Ligand ID:   COVPDB1232 PubChem:   5904
Synonym(s):  
  •   benzylpenicillin
  • benzylpenicillinic acid
  • free penicillin ii
  • pfizerpen
  • benzyl penicillin
  • bencilpenicilina
  • benzylpenicillinum
  • 61-33-6
  • benzylpenicilline
  • benzylpenicillin g
  • 6-(2-phenylacetamido)penicillanic acid
  • free penicillin g
  • benzopenicillin
  • dropcillin
  • gelacillin
  • liquacillin
  • pharmacillin
  • cilopen
  • pradupen
  • specilline g
  • benzylpenicillin potassium
  • (5r,6r)-benzylpenicillin
  • penicillin, (phenylmethyl)-
  • galofak
  • free benzylpenicillin
  • penicillin-g potassium
  • compocillin g
  • bensylpenicillin
  • benzyl benicillin
  • pfizerpen-as
  • penicillinic acid, (phenylmethyl)-
  • phenylacetamidopenicillanic acid
  • pencillin g
  • unii-q42t66vg0c
  • cilloral
  • cosmopen
  • penicillin-2
  • chebi:18208
  • benzyl-6-aminopenicillinic acid
  • penicillinic acid, benzyl-
  • (phenylmethyl)penicillin
  • q42t66vg0c
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • ursopen
  • (phenylmethyl)penicillinic acid
  • 61-33-6 (free acid)
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2s-(2alpha,5alpha,6beta))-
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-
  • cillora
  • penicilling
  • bencilpenicilina [spanish]
  • benzylpenicilline [french]
  • benzylpenicillinum [latin]
  • benzylpenicillin [inn:ban]
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2s-(2alpha,5alpha,6beta)]-
  • pnn
  • smr000538912
  • hsdb 3166
  • einecs 200-506-3
  • nsc 193396
  • brn 0044740
  • nsc-193396
  • j01ce01
  • penicillin,(s)
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-
  • penicillin-g
  • spectrum_000933
  • benzylpenicillin (inn)
  • chembl29
  • prestwick0_001078
  • prestwick1_001078
  • prestwick2_001078
  • prestwick3_001078
  • spectrum2_000518
  • spectrum3_000542
  • spectrum4_000471
  • spectrum5_001108
  • epitope id:114070
  • schembl3783
  • bspbio_001096
  • bspbio_002183
  • kbiogr_000942
  • kbioss_001413
  • 4-27-00-05861 (beilstein handbook reference)
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2s-(2alpha,5alpha,6beta))-
  • mls000766897
  • mls001032123
  • mls001173382
  • divk1c_000316
  • spbio_000475
  • spbio_002998
  • bpbio1_001206
  • gtpl4796
  • dtxsid5046934
  • kbio1_000316
  • kbio2_001413
  • kbio2_003981
  • kbio2_006549
  • kbio3_001683
  • ninds_000316
  • hms2875l09
  • zinc3871701
  • bdbm50022787
  • phenylacetyl-6-aminopenicillanic acid
  • akos005203091
  • db01053
  • idi1_000316
  • ncgc00159348-02
  • ncgc00159348-03
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2s,5r,6r)-
  • sbi-0051476.p003
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-
  • bicillin (*benzathine salt, tetrahydrate*)
  • c05551
  • d02336
  • (2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]
  • 061p336
  • q258450
  • w-109262
  • brd-k55191674-236-03-7
  • brd-k55191674-237-02-7
  • brd-k55191674-237-12-6
  • benzylpenicillin, antibiotic for culture media use only
  • 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
  • (+)-3,3-dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin g)
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • 3,3-dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • 3,3-dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (penicillin g)
  • 3,3-dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin g)
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)- (8ci)
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, (2s,5r,6r)-
show 136 synonym(s)
DrugBank:   DB01053 ChEMBL:   CHEMBL29
Canonical SMILES:   CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O
Standard InChI:   InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
Molecular Formula:   C16H18N2O4S Mol. Weight:   334.09872 logP:   0.8608
HBD:   2 HBA:   4
#Rotatable Bonds:   4 TPSA:   86.71

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Lmo2812 protein Q8Y3M3 (Q8Y3M3_LISMO) Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e) 5ZQB PNM
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SHOW
Beta-lactamase P00807 (BLAC_STAAU) Staphylococcus aureus 1GHP PNM
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SHOW
Peptidoglycan glycosyltransferase C8W8H7 (C8W8H7_ATOPD) Atopobium parvulum (strain ATCC 33793 / DSM 20469 / JCM 10300 / VPI 0546) (Streptococcus parvulus) (Peptostreptococcus parvulus) 4N1X PNM
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SHOW
Beta-lactamase P00808 (BLAC_BACLI) Bacillus licheniformis 3LY4 PNM
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SHOW
D-alanyl-D-alanine carboxypeptidase P15555 (DAC_STRSR) Streptomyces sp. (strain R61) 1PWC PNM
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SHOW
Beta-lactamase TEM P62593 (BLAT_ECOLX) Escherichia coli 1FQG PNM
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SHOW
Beta-lactamase Toho-1 Q47066 (BLT1_ECOLX) Escherichia coli 5KMW PNM
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SHOW
Beta-lactamase Toho-1 Q47066 (BLT1_ECOLX) Escherichia coli 1IYQ PNM
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SHOW
Penicillin-binding protein A P9WKD1 (PBPA_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 3UPO PNM
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SHOW
D-alanyl-D-alanine carboxypeptidase DacB P24228 (DACB_ECOLI) Escherichia coli (strain K12) 2EX8 PNM
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SHOW