Ki Summary

Reaction Details

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Target

Dihydrofolate reductase

Ligand

BDBM50298821

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_723694 (CHEMBL1677364)

IC50

61±n/a nM

Citation

Bourne, CR; Barrow, EW; Bunce, RA; Bourne, PC; Berlin, KD; Barrow, WW Inhibition of antibiotic-resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1. Antimicrob Agents Chemother54:3825-33 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Dihydrofolate reductase

Name:

Dihydrofolate reductase

Synonyms:

Type:

Enzyme

Mol. Mass.:

18249.71

Organism:

Staphylococcus aureus

Description:

n/a

Residue:

159

Sequence:

MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRN
VVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRG
DTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK

BDBM50298821

n/a

Name

BDBM50298821

Synonyms:

(S)-5-(3-(2-methoxy-2',6'-dimethylbiphenyl-4-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | CHEMBL577790

Type

Small organic molecule

Emp. Form.

C24H26N4O

Mol. Mass.

386.4894

SMILES

COc1cc(ccc1-c1c(C)cccc1C)[C@H](C)C#Cc1c(C)nc(N)nc1N |r,wU:16.18,(1.34,-3.46,;2.67,-2.68,;2.66,-1.15,;1.33,-.38,;1.32,1.16,;2.64,1.94,;3.98,1.18,;4,-.37,;5.33,-1.13,;6.65,-.35,;6.63,1.19,;7.99,-1.1,;8,-2.65,;6.67,-3.43,;5.33,-2.67,;4,-3.44,;-.01,1.92,;-.02,3.46,;-1.34,1.14,;-2.67,.36,;-4,-.41,;-4,-1.96,;-2.66,-2.73,;-5.33,-2.73,;-6.67,-1.96,;-8,-2.73,;-6.67,-.42,;-5.34,.35,;-5.34,1.89,)|

Structure