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Target
UDP-N-acetylmuramate--L-alanine ligase
Ligand
BDBM123120
Substrate
n/a
Meas. Tech.
E.coli MurC assay
Temperature
298.15±0 K
IC50
57±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 Biol 9:2274-82 (2014) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramate--L-alanine ligase
Synonyms:
MURC_ECOLI | MurC (E. coli) | UDP-N-acetylmuramate--L-alanine ligase | murC
Type:
Protein
Mol. Mass.:
53617.78
Organism:
Escherichia coli
Description:
P17952
Residue:
491
Sequence:
MNTQQLAKLRSIVPEMRRVRHIHFVGIGGAGMGGIAEVLANEGYQISGSDLAPNPVTQQLMNLGATIYFNHRPENVRDASVVVVSSAISADNPEIVAAHEARIPVIRRAEMLAELMRFRHGIAIAGTHGKTTTTAMVSSIYAEAGLDPTFVNGGLVKAAGVHARLGHGRYLIAEADESDASFLHLQPMVAIVTNIEADHMDTYQGDFENLKQTFINFLHNLPFYGRAVMCVDDPVIRELLPRVGRQTTTYGFSEDADVRVEDYQQIGPQGHFTLLRQDKEPMRVTLNAPGRHNALNAAAAVAVATEEGIDDEAILRALESFQGTGRRFDFLGEFPLEPVNGKSGTAMLVDDYGHHPTEVDATIKAARAGWPDKNLVMLFQPHRFTRTRDLYDDFANVLTQVDTLLMLEVYPAGEAPIPGADSRSLCRTIRGRGKIDPILVPDPARVAEMLAPVLTGNDLILVQGAGNIGKIARSLAEIKLKPQTPEEEQHD
  
Inhibitor
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:
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