Reaction Details Report a problem with these data
Target
Cytochrome P450 144 [31-434]
Ligand
BDBM222346
Substrate
n/a
Meas. Tech.
Optical Titration Assay
pH
7±n/a
Kd
8.2e+4± 4e+3 nM
Comments
extracted
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:
BDBM222346
Synonyms:
CYP144A1 ligand, 1
Type:
Small organic molecule
Emp. Form.:
C23H19N5O2
Mol. Mass.:
397.4293
SMILES:
Oc1ccc(cc1)-c1n[nH]c(NCc2cccc3[nH]ncc23)c1-c1ccc(O)cc1
Structure:
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