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Target
DNA gyrase subunit B
Ligand
BDBM50447301
Substrate
n/a
Meas. Tech.
ChEMBL_1291282 (CHEMBL3117272)
IC50
5.0±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]  Article 
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:
BDBM50447301
Synonyms:
CHEMBL3114206
Type:
Small organic molecule
Emp. Form.:
C20H25N5O3S
Mol. Mass.:
415.509
SMILES:
CCNC(=O)Nc1nc2cc(-c3cc(C)n(CC)c(=O)c3)c(=O)n(C(C)C)c2s1
Structure:
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