Reaction Details
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1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic
Ligand
BDBM50528592
Substrate
n/a
Meas. Tech.
ChEMBL_1905458 (CHEMBL4407816)
IC50
3700±n/a nM
Citation
Lienau, C; Gräwert, T; Alves Avelar, LA; Illarionov, B; Held, J; Knaab, TC; Lungerich, B; van Geelen, L; Meier, D; Geissler, S; Cynis, H; Riederer, U; Buchholz, M; Kalscheuer, R; Bacher, A; Mordmüller, B; Fischer, M; Kurz, T Novel reverse thia-analogs of fosmidomycin: Synthesis and antiplasmodial activity. Eur J Med Chem 181:0 (2019) [PubMed] Article More Info.:
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic
Synonyms:
1-deoxyxylulose-5-phosphate reductoisomerase | DOXP reductoisomerase | DXP reductoisomerase | DXR | DXR_PLAF7
Type:
PROTEIN
Mol. Mass.:
55772.75
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_117864
Residue:
488
Sequence:
MKKYIYIYFFFITITINDLVINNTSKCVSIERRKNNAYINYGIGYNGPDNKITKSRRCKRIKLCKKDLIDIGAIKKPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHNSS
Inhibitor
Name:
BDBM50528592
Synonyms:
CHEMBL4458458
Type:
Small organic molecule
Emp. Form.:
C12H18NO9PS
Mol. Mass.:
383.311
SMILES:
COc1cc(OC)cc(c1)C(P(O)(O)=O)S(=O)(=O)CC(=O)N(C)O
Structure:
