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Target
Coproporphyrinogen III oxidase
Ligand
BDBM50414818
Substrate
n/a
Meas. Tech.
ChEMBL_588025 (CHEMBL1048360)
Ki
4786.3±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:
BDBM50414818
Synonyms:
CHEMBL575228
Type:
Small organic molecule
Emp. Form.:
C21H15FN2O4
Mol. Mass.:
378.3532
SMILES:
CC1Oc2cc(F)c(cc2N(CC#C)C1=O)N1C(=O)c2ccc(C)cc2C1=O
Structure:
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