Ligand |
||
Ligand Name: carbenicillin | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB626 | PubChem: 7059500 | |
Synonym(s):
|
||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O | ||
Standard InChI: InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,14-/m1/s1 | ||
Molecular Formula: C17H18N2O6S | Mol. Weight: 378.08856 | logP: 0.4865 |
HBD: 3 | HBA: 5 | |
#Rotatable Bonds: 5 | TPSA: 124.01 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
DD-transpeptidase | Q8Y547 (Q8Y547_LISMO) | Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e) | 3ZGA | CB9 |
- |
- |
SHOW |
Beta-lactamase | P9WKD3 (BLAC_MYCTU) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | 3N8R | CB9 |
- |
- |
SHOW |
Peptidoglycan D,D-transpeptidase FtsI | Q51504 (Q51504_PSEAI) | Pseudomonas aeruginosa | 3OCL | CB9 |
- |
- |
SHOW |