Ligand |
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Ligand Name: ALAREMYCIN 2 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB517 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(=O)N[C@H](C)C(=O)CCC([O-])=O | ||
Standard InChI: InChI=1S/C8H13NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,9,10)(H,12,13)/p-1/t5-/m1/s1 | ||
Molecular Formula: C8H12NO4- | Mol. Weight: 186.07718 | logP: -1.3898 |
HBD: 1 | HBA: 4 | |
#Rotatable Bonds: 5 | TPSA: 86.3 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Delta-aminolevulinic acid dehydratase | Q59643 (HEM2_PSEAE) | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) | 2WOQ | AYC | Ki : 1330000 nM | PDBBind | SHOW |