Ligand
Ligand Name:   6-aminopenicillian
Ligand Type:   non-polymer
Ligand ID:   COVPDB1461 PubChem:   11082
Synonym(s):  
  •   6-aminopenicillanic acid
  • 551-16-6
  • 6-apa
  • penicin
  • penin
  • aminopenicillanic acid
  • 6-aps
  • (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • phenacyl 6-aminopenicillinate
  • 6-aminopenicillamine acid
  • (+)-6-aminopenicillanic acid
  • unii-qr0c4r7xvn
  • 6-aminopenicillanate
  • ai3-52557
  • chebi:16705
  • mfcd00005176
  • qr0c4r7xvn
  • 6beta-aminopenicillanic acid
  • (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • chembl1236749
  • 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,5r,6r)-
  • sr-01000640154-1
  • 6-aminopenicillanic acid, 96%
  • 6-aminopenicillanicacid
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,5r,6r)-
  • einecs 208-993-4
  • nsc 50071
  • ncgc00160198-01
  • amino penicillanic acid
  • 6-aminopenicillanic-acid
  • 6-amino-penicillanic acid
  • 6-aminopenici llanic acid
  • bmse000312
  • epitope id:117703
  • ec 208-993-4
  • dsstox_cid_26097
  • dsstox_rid_81336
  • dsstox_gsid_46097
  • schembl66332
  • amoxicillin related compound a
  • dtxsid7046097
  • 09070_fluka
  • (2s,5r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6-aminopenicillinic acid (6-apa)
  • bcp13375
  • str03060
  • zinc3860188
  • tox21_111749
  • bdbm50420257
  • ccg-50809
  • s5035
  • (+)-6-aminopenicillanic acid, 96%
  • akos015907713
  • cs-w014265
  • ebd2197937
  • hy-w013549
  • ks-5277
  • mcule-7780131013
  • vz30646
  • ac-11282
  • cas-551-16-6
  • a0800
  • c02954
  • m-5489
  • (+)-6-aminopenicillanic acid, analytical standard
  • q2823234
  • w-105586
  • 6beta-amino-2,2-dimethylpenam-3alpha-carboxylic acid
  • z1741972222
  • (3s,5r,6r)-6-amino-2,2-dimethylpenam-3-carboxylic acid
  • (3s, 5r, 6r)-6-amino-2,2-dimethylpenam-3-carboxylic acid
  • flucloxacillin impurity c, european pharmacopoeia (ep) reference standard
  • amoxicillin related compound a, united states pharmacopeia (usp) reference standard
  • (2s,5r,6r)-(+)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (6-aminopenicillanic acid)
  • [2s-(2alpha,5alpha,6beta)]-6-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-amino-3,3-dimethyl-7-oxo-, (2s,6r)-
  • rel-(2r,6s)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • x1e
show 79 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1236749
Canonical SMILES:   CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O
Standard InChI:   InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
Molecular Formula:   C8H12N2O3S Mol. Weight:   216.05687 logP:   -0.5394
HBD:   2 HBA:   4
#Rotatable Bonds:   1 TPSA:   83.63

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) 3N6I XD1
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