Reaction Details |
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Target | Coproporphyrinogen III oxidase |
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Ligand | BDBM50414824 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_588025 (CHEMBL1048360) |
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Ki | 39.81±n/a nM |
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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 Chem17:4935-42 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Coproporphyrinogen III oxidase |
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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: | MSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVKKDGYII
ERGPDSFLERKKSAPQLVKDLGLEHLLVNNATGQSYVLVNRTLHPMPKGAVMGIPTKIAP
FVSTGLFSLSGKARAAMDFILPASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGD
IDKLSLMSTFPQFYQTEQKHRSLILGMKKTRPQGSGQQLTAKKQGQFQTLSTGLQTLVEE
IEKQLKLTKVYKGTKVTKLSHSGSCYSLELDNGVTLDADSVIVTAPHKAAAGMLSELPAI
SHLKNMHSTSVANVALGFPEGSVQMEHEGTGFVISRNSDFAITACTWTNKKWPHAAPEGK
TLLRAYVGKAGDESIVDLSDNDIINIVLEDLKKVMNINGEPEMTCVTRWHESMPQYHVGH
KQRIKELREALASAYPGVYMTGASFEGVGIPDCIDQGKAAVSDALTYLFS
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BDBM50414824 |
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n/a |
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Name | BDBM50414824 |
Synonyms: | CHEMBL573882 |
Type | Small organic molecule |
Emp. Form. | C20H19FN2O6 |
Mol. Mass. | 402.3731 |
SMILES | COC(=O)CN1C(=O)C(C)Oc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O |t:23| |
Structure |
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