Ki Summary

Reaction Details

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Target

UDP-N-acetylmuramate--L-alanine ligase

Ligand

BDBM123120

Substrate/Competitor

n/a

Meas. Tech.

P. aeruginosa MurC assay

Temperature

298.15±0 K

IC50

8±n/a nM

Citation

Hameed P, S; Manjrekar, P; Chinnapattu, M; Humnabadkar, V; Shanbhag, G; Kedari, C; Mudugal, NV; Ambady, A; de Jonge, BL; Sadler, C; Paul, B; Sriram, S; Kaur, P; Guptha, S; Raichurkar, A; Fleming, P; Eyermann, CJ; McKinney, DC; Sambandamurthy, VK; Panda, M; Ravishankar, S Pyrazolopyrimidines Establish MurC as a Vulnerable Target in Pseudomonas aeruginosa and Escherichia coli. ACS Chem Biol9:2274-82 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

UDP-N-acetylmuramate--L-alanine ligase

Name:

UDP-N-acetylmuramate--L-alanine ligase

Synonyms:

MURC_PSEAE | MurC (P. aeruginosa) | murC

Type:

Protein

Mol. Mass.:

51977.96

Organism:

Pseudomonas aeruginosa (G-proteobacteria)

Description:

Q9HW02

Residue:

480

Sequence:

MVKEPNGVTRTMRRIRRIHFVGIGGAGMCGIAEVLLNLGYEVSGSDLKASAVTERLEKFG
AQIFIGHQAENADGADVLVVSSAINRANPEVASALERRIPVVPRAEMLAELMRYRHGIAV
AGTHGKTTTTSLIASVFAAGGLDPTFVIGGRLNAAGTNAQLGASRYLVAEADESDASFLH
LQPMVAVVTNIDADHMATYGGDFNKLKKTFVEFLHNLPFYGLAVMCVDDPVVREILPQIA
RPTVTYGLSEDADVRAINIRQEGMRTWFTVLRPEREPLDVSVNMPGLHNVLNSLATIVIA
TDEGISDEAIVQGLSGFQGVGRRFQVYGELQVEGGSVMLVDDYGHHPREVAAVIKAIRGG
WPERRLVMVYQPHRYTRTRDLYEDFVQVLGEANVLLLMEVYPAGEEPIPGADSRQLCHSI
RQRGQLDPIYFERDADLAPLVKPLLRAGDILLCQGAGDVGGLAPQLIKNPLFAGKGGKGA

BDBM123120

n/a

Name

BDBM123120

Synonyms:

(R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2-(3-chloropyridin-4-yl)ethanol (19)

Type

Small organic molecule

Emp. Form.

C20H24ClN9O

Mol. Mass.

441.917

SMILES

Cn1nc(Nc2nc(N[C@@H](CO)c3ccncc3Cl)nc3n[nH]cc23)cc1C(C)(C)C

Structure