Reaction Details 
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DNA gyrase subunit B
Ligand
BDBM50447312
Substrate
n/a
Meas. Tech.
ChEMBL_1291282 (CHEMBL3117272)
IC50
20±n/a nM
Citation
Kale, RR; Kale, MG; Waterson, D; Raichurkar, A; Hameed, SP; Manjunatha, MR; Kishore Reddy, BK; Malolanarasimhan, K; Shinde, V; Koushik, K; Jena, LK; Menasinakai, S; Humnabadkar, V; Madhavapeddi, P; Basavarajappa, H; Sharma, S; Nandishaiah, R; Mahesh Kumar, KN; Ganguly, S; Ahuja, V; Gaonkar, S; Naveen Kumar, CN; Ogg, D; Boriack-Sjodin, PA; Sambandamurthy, VK; de Sousa, SM; Ghorpade, SR Thiazolopyridone ureas as DNA gyrase B inhibitors: optimization of antitubercular activity and efficacy. Bioorg Med Chem Lett 24:870-9 (2014) [PubMed] ArticleMore Info.:
Target
Name:
DNA gyrase subunit B
Synonyms:
GYRB_MYCSM | gyrB
Type:
PROTEIN
Mol. Mass.:
74505.25
Organism:
Mycobacterium smegmatis
Description:
ChEMBL_107961
Residue:
675
Sequence:
MAAQKNNAPKEYGADSITILEGLEAVRKRPGMYIGSTGERGLHHLIWEVVDNAVDEAMAGFATRVDVKIHADGSVEVRDDGRGIPVEMHATGMPTIDVVMTQLHAGGKFDGETYAVSGGLHGVGVSVVNALSTRLEATVLRDGYEWFQYYDRSVPGKLKQGGETKETGTTIRFWADPEIFETTDYNFETVARRLQEMAFLNKGLTIELTDERVTAEEVVDDVVKDTAEAPKTADEKAAEATGPSKVKHRVFHYPGGLVDYVKHINRTKTPIQQSIIDFDGKGPGHEVEIAMQWNAGYSESVHTFANTINTHEGGTHEEGFRAALTSVVNRYAKDKKLLKDKDPNLTGDDIREGLAAVISVKVAEPQFEGQTKTKLGNTEVKSFVQKICNEQLQHWFEANPAEAKTVVNKAVSSAQARIAARKARELVRRKSATDIGGLPGKLADCRSTDPSKSELYVVEGDSAGGSAKSGRDSMFQAILPLRGKIINVEKARIDRVLKNTEVQSIITALGTGIHDEFDISKLRYHKIVLMADADVDGQHISTLLLTLLFRFMKPLVENGHIFLAQPPLYKLKWQRSEPEFAYSDRERDGLLEAGRAAGKKINVDDGIQRYKGLGEMDAKELWETTMDPSVRVLRQVTLDDAAAADELFSILMGEDVEARRSFITRNAKDVRFLDV
Inhibitor
Name:
BDBM50447312
Synonyms:
CHEMBL3114222
Type:
Small organic molecule
Emp. Form.:
C21H25N5O2S
Mol. Mass.:
411.521
SMILES:
CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCCCC3)c2s1
Structure:
