Ki Summary

Reaction Details

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Target

UDP-N-acetylmuramate--L-alanine ligase

Ligand

BDBM123103

Substrate/Competitor

n/a

Meas. Tech.

P. aeruginosa MurC assay

Temperature

298.15±0 K

IC50

5e+1±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

BDBM123103

n/a

Name

BDBM123103

Synonyms:

(S)-2-cyclohexyl-2-(4-(3-cyclopropyl-1H-pyrazol-5-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)ethanol (2)

Type

Small organic molecule

Emp. Form.

C19H26N8O

Mol. Mass.

382.4627

SMILES

OC[C@@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)c2c[nH]nc2n1)C1CCCCC1 |r|

Structure