Reaction Details Report a problem with these data
Target
DNA gyrase subunit B
Ligand
BDBM50208275
Substrate
n/a
Meas. Tech.
ChEMBL_1632525 (CHEMBL3875317)
IC50
53600±n/a nM
Citation
 Chaudhari, K; Surana, S; Jain, P; Patel, HM Mycobacterium Tuberculosis (MTB) GyrB inhibitors: An attractive approach for developing novel drugs against TB. Eur J Med Chem 124:160-185 (2016) [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:
BDBM50208275
Synonyms:
CHEMBL3884003
Type:
Small organic molecule
Emp. Form.:
C22H24Cl2N4O2
Mol. Mass.:
447.358
SMILES:
Cc1ccc2N(CCN3CCN(CC3)NCc3cccc(Cl)c3Cl)C(=O)C(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: