Reaction Details Report a problem with these data
Target
Cytochrome P450 144 [31-434]
Ligand
BDBM222348
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry (ITC)
pH
7.5±0
Temperature
298.15±0 K
Kd
1.40e+5± 2.7e+4 nM
Citation
 Kavanagh, ME; Chenge, J; Zoufir, A; McLean, KJ; Coyne, AG; Bender, A; Munro, AW; Abell, C Fragment Profiling Approach to Inhibitors of the Orphan M. tuberculosis P450 CYP144A1. Biochemistry 56:1559-1572 (2017) [PubMed]  Article 
Target
Name:
Cytochrome P450 144 [31-434]
Synonyms:
CP144_MYCTO | Cytochrome P450 144 (CYP144A1-TRV) | cyp144
Type:
Protein
Mol. Mass.:
43963.64
Organism:
Mycobacterium tuberculosis
Description:
M. tuberculosis cytochrome P450 144 truncation (31-434 aa)
Residue:
404
Sequence:
MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ
  
Inhibitor
Name:
BDBM222348
Synonyms:
CYP144A1 ligand, 3
Type:
Small organic molecule
Emp. Form.:
C21H18N4O2
Mol. Mass.:
358.3932
SMILES:
Nc1[nH]nc(c1-c1ccc(O)c(c1)-c1cccc(N)c1)-c1ccc(O)cc1
Structure:
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