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Target
Glutamate racemase
Ligand
BDBM50262114
Substrate
n/a
Meas. Tech.
ChEMBL_842443 (CHEMBL2092116)
IC50
34±n/a nM
Citation
 Basarab, GS; Hill, P; Eyermann, CJ; Gowravaram, M; Käck, H; Osimoni, E Design of inhibitors of Helicobacter pylori glutamate racemase as selective antibacterial agents: incorporation of imidazoles onto a core pyrazolopyrimidinedione scaffold to improve bioavailabilty. Bioorg Med Chem Lett 22:5600-7 (2012) [PubMed]  Article 
Target
Name:
Glutamate racemase
Synonyms:
MURI_HELPJ | glr | murI
Type:
PROTEIN
Mol. Mass.:
28499.39
Organism:
Helicobacter pylori J99
Description:
ChEMBL_842443
Residue:
255
Sequence:
MKIGVFDSGVGGFSVLKSLLKARLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHEIELLIVACNTASALALEEMQKYSKIPIVGVIEPSILAIKRQVEDKNAPILVLGTKATIQSNAYDNALKQQGYLNISHLATSLFVPLIEESILEGELLETCMHYYFTPLEILPEVIILGCTHFPLIAQKIEGYFMGHFALPTPPLLIHSGDAIVEYLQQKYALKNNACTFPKVEFHASGDVIWLERQAKEWLKL
  
Inhibitor
Name:
BDBM50262114
Synonyms:
2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | CHEMBL469230
Type:
Small organic molecule
Emp. Form.:
C26H25ClN6O4S
Mol. Mass.:
553.033
SMILES:
Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O |(-3.7,2.05,;-2.16,2.05,;-1.26,3.29,;.2,2.82,;.21,1.29,;-1.26,.8,;-1.73,-.66,;-.82,-1.91,;.72,-1.91,;1.5,-3.25,;.72,-4.58,;1.49,-5.91,;3.04,-5.92,;3.8,-4.57,;5.33,-4.56,;6.1,-3.23,;5.31,-1.9,;6.07,-.56,;3.79,-1.92,;3.03,-3.24,;-1.73,-3.17,;-3.2,-2.69,;-4.55,-3.46,;-4.55,-5,;-5.89,-5.77,;-7.42,-5.77,;-6.66,-7.11,;-5.88,-2.69,;-7.22,-3.46,;-5.88,-1.14,;-7.22,-.37,;-4.55,-.36,;-4.55,1.18,;-3.2,-1.14,;1.45,3.73,;2.69,4.64,;.6,5.02,;2.3,2.45,)|
Structure:
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