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Target
DNA gyrase subunit B
Ligand
BDBM50010338
Substrate
n/a
Meas. Tech.
ChEMBL_1353018 (CHEMBL3270626)
IC50
3.7±n/a nM
Citation
 Ahuja, V; Basavarajappa, H; P, SH; Boriack-Sjodin, PA; McKinney, D; Ganguly, S; Kranthi, U; Gaonkar, S; Jena, Lk; Ghorpade, SR; Ghosh, A; Barde, S; Kale, MG; Koushik, K; Kumar, CN; Manjunatha, MR; Ogg, D; Panduga, V; Ramya, VK; Reddy, J; Kumar, KN; Giridhar, J; Rudrapatna, S; Sharma, S; Tucker, JA; Vachaspati, P; Waterson, D; de Sousa, SM Thiazolopyridine ureas as novel antitubercular agents acting through inhibition of DNA Gyrase B. Cell Chem Biol 56:8834-48 (2013) [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:
BDBM50010338
Synonyms:
CHEMBL3259858
Type:
Small organic molecule
Emp. Form.:
C21H26N6O4S
Mol. Mass.:
458.534
SMILES:
CCNC(=O)Nc1nc2cc(c(N[C@H]3CCOC3)nc2s1)-c1ccn(CCOC)c(=O)c1 |r|
Structure:
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