Ligand
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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