Ligand
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