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Target
Mycocyclosin synthase
Ligand
BDBM50505727
Substrate
n/a
Meas. Tech.
ChEMBL_1823748 (CHEMBL4323512)
Kd
10400±n/a nM
Citation
 Rajput, S; McLean, KJ; Poddar, H; Selvam, IR; Nagalingam, G; Triccas, JA; Levy, CW; Munro, AW; Hutton, CA Structure-Activity Relationships of  J Med Chem 62:9792-9805 (2019) [PubMed]  Article 
Target
Name:
Mycocyclosin synthase
Synonyms:
CP121_MYCTU | Cytochrome P450 121 | Cytochrome P450 MT2 | cyp121
Type:
PROTEIN
Mol. Mass.:
43255.98
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_721243
Residue:
396
Sequence:
MTATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPNPGSIELDRPNPTSHLAFGRGQHFCPGSALGRRHAQIGIEALLKKMPGVDLAVPIDQLVWRTRFQRRIPERLPVLW
  
Inhibitor
Name:
BDBM50505727
Synonyms:
CHEMBL4447064
Type:
Small organic molecule
Emp. Form.:
C19H20N2O4
Mol. Mass.:
340.3731
SMILES:
COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 |r|
Structure:
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