Ki Summary

Reaction Details

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Target

1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic

Ligand

BDBM50459312

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1766161 (CHEMBL4201408)

IC50

2540±n/a nM

Citation

Wang, X; Edwards, RL; Ball, H; Johnson, C; Haymond, A; Girma, M; Manikkam, M; Brothers, RC; McKay, KT; Arnett, SD; Osbourn, DM; Alvarez, S; Boshoff, HI; Meyers, MJ; Couch, RD; Odom John, AR; Dowd, CS MEPicides: ?,?-Unsaturated Fosmidomycin Analogues as DXR Inhibitors against Malaria. J Med Chem61:8847-8858 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic

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:

MKKYIYIYFFFITITINDLVINNTSKCVSIERRKNNAYINYGIGYNGPDNKITKSRRCKR
IKLCKKDLIDIGAIKKPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNE
LYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIG
IDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQC
LDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGK
KITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDM
QIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLN
ASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATD
IYNKHNSS

BDBM50459312

n/a

Name

BDBM50459312

Synonyms:

CHEMBL4210088

Type

Small organic molecule

Emp. Form.

C13H17NNaO5P

Mol. Mass.

321.2413

SMILES

[Na;v0+].[#6]-[#6](-[#8]-[#7](-[#6]\[#6]=[#6]\P([#8])([#8-])=O)-[#6](-[#6])=O)-c1ccccc1

Structure