Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramate--L-alanine ligase
Ligand
BDBM123114
Substrate
n/a
Meas. Tech.
E.coli MurC assay
Temperature
298.15±0 K
IC50
2±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
More Info.:
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:
BDBM123114
Synonyms:
(1R,2S)-1-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2,3-dihydro-1H-inden-2-ol (13)
Type:
Small organic molecule
Emp. Form.:
C22H26N8O
Mol. Mass.:
418.4948
SMILES:
Cn1nc(Nc2nc(N[C@H]3[C@@H](O)Cc4ccccc34)nc3n[nH]cc23)cc1C(C)(C)C