Reaction Details Report a problem with these data
Target
Coproporphyrinogen III oxidase
Ligand
BDBM50414827
Substrate
n/a
Meas. Tech.
ChEMBL_588025 (CHEMBL1048360)
Ki
25.12±n/a nM
Citation
 Zhang, L; Hao, GF; Tan, Y; Xi, Z; Huang, MZ; Yang, GF Bioactive conformation analysis of cyclic imides as protoporphyrinogen oxidase inhibitor by combining DFT calculations, QSAR and molecular dynamic simulations. Bioorg Med Chem 17:4935-42 (2009) [PubMed]  Article 
Target
Name:
Coproporphyrinogen III oxidase
Synonyms:
CGOX_BACSU | PPO | Protoporphyrinogen oxidase | cgoX | hemG | hemY
Type:
PROTEIN
Mol. Mass.:
51210.88
Organism:
Bacillus subtilis (strain 168)
Description:
ChEMBL_588025
Residue:
470
Sequence:
MSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVKKDGYIIERGPDSFLERKKSAPQLVKDLGLEHLLVNNATGQSYVLVNRTLHPMPKGAVMGIPTKIAPFVSTGLFSLSGKARAAMDFILPASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGDIDKLSLMSTFPQFYQTEQKHRSLILGMKKTRPQGSGQQLTAKKQGQFQTLSTGLQTLVEEIEKQLKLTKVYKGTKVTKLSHSGSCYSLELDNGVTLDADSVIVTAPHKAAAGMLSELPAISHLKNMHSTSVANVALGFPEGSVQMEHEGTGFVISRNSDFAITACTWTNKKWPHAAPEGKTLLRAYVGKAGDESIVDLSDNDIINIVLEDLKKVMNINGEPEMTCVTRWHESMPQYHVGHKQRIKELREALASAYPGVYMTGASFEGVGIPDCIDQGKAAVSDALTYLFS
  
Inhibitor
Name:
BDBM50414827
Synonyms:
CHEMBL576959
Type:
Small organic molecule
Emp. Form.:
C22H16ClF4N3O3
Mol. Mass.:
481.827
SMILES:
Fc1cc(Cl)c(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1N1C(=O)C2=C(CCCC2)C1=O |t:27|
Structure:
Search PDB for entries with ligand similarity: