Ligand |
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Ligand Name: (2S,5R,6R)-6-[(6S)-6-amino-6-carboxyhexanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB907 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)CCCC[C@H](N)C(O)=O)C(=O)N2[C@H]1C([O-])=O | ||
Standard InChI: InChI=1S/C15H23N3O6S/c1-15(2)10(14(23)24)18-11(20)9(12(18)25-15)17-8(19)6-4-3-5-7(16)13(21)22/h7,9-10,12H,3-6,16H2,1-2H3,(H,17,19)(H,21,22)(H,23,24)/p-1/t7-,9+,10-,12+/m0/s1 | ||
Molecular Formula: C15H22N3O6S- | Mol. Weight: 372.12347 | logP: -1.7443 |
HBD: 3 | HBA: 7 | |
#Rotatable Bonds: 8 | TPSA: 152.86 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
D-alanyl-D-alanine carboxypeptidase DacA | P0AEB2 (DACA_ECOLI) | Escherichia coli (strain K12) | 3BEB | HJ3 |
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