Ligand |
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Ligand Name: (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB886 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(=O)OC[C@H]1CS[C@@H]2[C@H](NC(=O)CCCC[C@H](NC(=O)CN)C(O)=O)C(=O)N2[C@@H]1C(O)=O | ||
Standard InChI: InChI=1S/C19H28N4O9S/c1-9(24)32-7-10-8-33-17-14(16(27)23(17)15(10)19(30)31)22-12(25)5-3-2-4-11(18(28)29)21-13(26)6-20/h10-11,14-15,17H,2-8,20H2,1H3,(H,21,26)(H,22,25)(H,28,29)(H,30,31)/t10-,11-,14+,15-,17+/m0/s1 | ||
Molecular Formula: C19H28N4O9S | Mol. Weight: 488.15768 | logP: -1.8927 |
HBD: 5 | HBA: 9 | |
#Rotatable Bonds: 12 | TPSA: 205.43 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
D-alanyl-D-alanine carboxypeptidase | P15555 (DAC_STRSR) | Streptomyces sp. (strain R61) | 1PW8 | H2A |
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