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Target
Mycocyclosin synthase
Ligand
BDBM31774
Substrate
n/a
Meas. Tech.
ChEMBL_1576820 (CHEMBL3806366)
Kd
73±n/a nM
Citation
 Kavanagh, ME; Coyne, AG; McLean, KJ; James, GG; Levy, CW; Marino, LB; de Carvalho, LP; Chan, DS; Hudson, SA; Surade, S; Leys, D; Munro, AW; Abell, C Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J Med Chem 59:3272-302 (2016) [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:
BDBM31774
Synonyms:
CHEMBL104 | Canesten | Clotrimazole | Lotrimin | Mycelex | US9138393, Clotrimazole | cid_2812
Type:
Small organic molecule
Emp. Form.:
C22H17ClN2
Mol. Mass.:
344.837
SMILES:
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Structure:
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