Ligand |
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| Ligand Name: (E)-5-Bromo-4-oxo-pent-2-enoic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1308 | PubChem: 49855644 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC(=O)\C=C\C(=O)CBr | ||
| Standard InChI: InChI=1S/C5H5BrO3/c6-3-4(7)1-2-5(8)9/h1-2H,3H2,(H,8,9)/b2-1+ | ||
| Molecular Formula: C5H5BrO3 | Mol. Weight: 191.9422 | logP: 0.5912 |
| HBD: 1 | HBA: 2 | |
| #Rotatable Bonds: 3 | TPSA: 54.37 | |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
| Delta-aminolevulinic acid dehydratase | P05373 (HEM2_YEAST) | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | 1YLV | SHF | Ki : 2000000 nM | PDBBind | SHOW |
| Proline racemase A | Q4DA80 (PRCMA_TRYCC) | Trypanosoma cruzi (strain CL Brener) | 6HJF | SHF |
- |
- |
SHOW |
| Delta-aminolevulinic acid dehydratase | P0ACB2 (HEM2_ECOLI) | Escherichia coli (strain K12) | 1B4E | SHF |
- |
- |
SHOW |
| Delta-aminolevulinic acid dehydratase | P05373 (HEM2_YEAST) | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | 1H7N | SHF |
- |
- |
SHOW |
| Delta-aminolevulinic acid dehydratase | Q59643 (HEM2_PSEAE) | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) | 1B4K | SHF |
- |
- |
SHOW |