Target
DNA gyrase subunit B
Ligand
BDBM50010339
Substrate
n/a
Meas. Tech.
ChEMBL_1353018 (CHEMBL3270626)
IC50
3.0±n/a nM
Citation
 Ahuja, VBasavarajappa, HP, SHBoriack-Sjodin, PAMcKinney, DGanguly, SKranthi, UGaonkar, SJena, LkGhorpade, SRGhosh, ABarde, SKale, MGKoushik, KKumar, CNManjunatha, MROgg, DPanduga, VRamya, VKReddy, JKumar, KNGiridhar, JRudrapatna, SSharma, STucker, JAVachaspati, PWaterson, Dde 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:
BDBM50010339
Synonyms:
CHEMBL3263620
Type:
Small organic molecule
Emp. Form.:
C23H30N6O4S
Mol. Mass.:
486.587
SMILES:
CCNC(=O)Nc1nc2cc(-c3ccn(CCN(C)C)c(=O)c3)c(OCC3CCOC3)nc2s1
Structure:
Search PDB for entries with ligand similarity: