Reaction Details Report a problem with these data
Target
DNA gyrase subunit B
Ligand
BDBM50010347
Substrate
n/a
Meas. Tech.
ChEMBL_1353018 (CHEMBL3270626)
IC50
5.0±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:
BDBM50010347
Synonyms:
CHEMBL3263591
Type:
Small organic molecule
Emp. Form.:
C19H21N5O3S
Mol. Mass.:
399.467
SMILES:
CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCC3CCOC3)nc2s1
Structure:
Search PDB for entries with ligand similarity: