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TargetCytochrome P450 144 (CYP144A1-TRV)
LigandBDBM222348
Substrate/Competitorn/a
Meas. Tech.Isothermal Titration Calorimetry (ITC)
pH7.5±0
Temperature298.15±0 K
Kd 1.40e+5± 2.7e+4 nM
Citation Kavanagh MEChenge JZoufir AMcLean KJCoyne AGBender AMunro AWAbell C Fragment Profiling Approach to Inhibitors of the Orphan M. tuberculosis P450 CYP144A1. Biochemistry 56:1559-1572 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 144 (CYP144A1-TRV)
Name:Cytochrome P450 144 (CYP144A1-TRV)
Synonyms:n/a
Type:Protein
Mol. Mass.:43963.64
Organism:Mycobacterium tuberculosis
Description:M. tuberculosis cytochrome P450 144 truncation (31-434 aa)
Residue:404
Sequence:
MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFS
SNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQF
TVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEG
LVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVT
LFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRN
ATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAAL
ARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ
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  Blast E-value cutoff:
BDBM222348
n/a
NameBDBM222348
Synonyms:CYP144A1 ligand, 3
TypeSmall organic molecule
Emp. Form.C21H18N4O2
Mol. Mass.358.3932
SMILESNc1[nH]nc(c1-c1ccc(O)c(c1)-c1cccc(N)c1)-c1ccc(O)cc1
Structure
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