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Target
Heme ligase
Ligand
BDBM558638
Substrate
n/a
Meas. Tech.
TBD
IC50
5620±300 nM
Citation
 Bhattacharya, AK; Aratikatla, EK; Malhotra, P; Mohmmed, A Antimalarial compounds, process for preparation and their use for drug resistant malaria US Patent  US11365202 Publication Date 6/21/2022 
Target
Name:
Heme ligase
Synonyms:
4.99.1.8 | HDP | HDP_PLAF7
Type:
PROTEIN
Mol. Mass.:
24349.37
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_117325
Residue:
205
Sequence:
MKNRFYYNLIIKRLYTRSGGLRKPQKVTNDPESINRKVYWCFEHKPVKRTIINLIYSHNELKIFSNLLNHPTVGSSLIHELSLDGPYTAFFPSNEAMQLINIESFNKLYNDENKLSEFVLNHVTKEYWLYRDLYGSSYQPWLMYNEKREAPEKLRNLLNNDLIVKIEGEFKHCNHSIYLNGSKIIRPNMKCHNGVVHIVDKPIIF
  
Inhibitor
Name:
BDBM558638
Synonyms:
US11365202, Compound 3
Type:
Small organic molecule
Emp. Form.:
C45H64N3O12P
Mol. Mass.:
869.9763
SMILES:
CCOP(=O)(OCC)\C=C\C(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;$|
Structure:
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