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Target
DNA gyrase subunit B
Ligand
BDBM50018289
Substrate
n/a
Meas. Tech.
ChEMBL_1361407 (CHEMBL3294031)
IC50
>100000±n/a nM
Citation
 Hameed P, S; Patil, V; Solapure, S; Sharma, U; Madhavapeddi, P; Raichurkar, A; Chinnapattu, M; Manjrekar, P; Shanbhag, G; Puttur, J; Shinde, V; Menasinakai, S; Rudrapatana, S; Achar, V; Awasthy, D; Nandishaiah, R; Humnabadkar, V; Ghosh, A; Narayan, C; Ramya, VK; Kaur, P; Sharma, S; Werngren, J; Hoffner, S; Panduga, V; Kumar, CN; Reddy, J; Kumar K N, M; Ganguly, S; Bharath, S; Bheemarao, U; Mukherjee, K; Arora, U; Gaonkar, S; Coulson, M; Waterson, D; Sambandamurthy, VK; de Sousa, SM Novel N-linked aminopiperidine-based gyrase inhibitors with improved hERG and in vivo efficacy against Mycobacterium tuberculosis. J Med Chem 57:4889-905 (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:
BDBM50018289
Synonyms:
CHEMBL3290337
Type:
Small organic molecule
Emp. Form.:
C25H26N6O3
Mol. Mass.:
458.5123
SMILES:
O=C1COc2ccc(CNC3CCN(CCn4c5cc(ccc5ccc4=O)C#N)CC3)nc2N1
Structure:
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