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Target
Protoporphyrinogen oxidase
Ligand
BDBM50359917
Substrate
n/a
Meas. Tech.
ChEMBL_791250 (CHEMBL1929737)
Ki
20700±n/a nM
Citation
 Zuo, Y; Yang, SG; Jiang, LL; Hao, GF; Wang, ZF; Wu, QY; Xi, Z; Yang, GF Quantitative structure-activity relationships of 1,3,4-thiadiazol-2(3H)-ones and 1,3,4-oxadiazol-2(3H)-ones as human protoporphyrinogen oxidase inhibitors. Bioorg Med Chem 20:296-304 (2011) [PubMed]  Article 
Target
Name:
Protoporphyrinogen oxidase
Synonyms:
PPO | PPOX | PPOX_HUMAN
Type:
PROTEIN
Mol. Mass.:
50774.78
Organism:
Homo sapiens (Human)
Description:
ChEMBL_791250
Residue:
477
Sequence:
MGRTVVVLGGGISGLAASYHLSRAPCPPKVVLVESSERLGGWIRSVRGPNGAIFELGPRGIRPAGALGARTLLLVSELGLDSEVLPVRGDHPAAQNRFLYVGGALHALPTGLRGLLRPSPPFSKPLFWAGLRELTKPRGKEPDETVHSFAQRRLGPEVASLAMDSLCRGVFAGNSRELSIRSCFPSLFQAEQTHRSILLGLLLGAGRTPQPDSALIRQALAERWSQWSLRGGLEMLPQALETHLTSRGVSVLRGQPVCGLSLQAEGRWKVSLRDSSLEADHVISAIPASVLSELLPAEAAPLARALSAITAVSVAVVNLQYQGAHLPVQGFGHLVPSSEDPGVLGIVYDSVAFPEQDGSPPGLRVTVMLGGSWLQTLEASGCVLSQELFQQRAQEAAATQLGLKEMPSHCLVHLHKNCIPQYTLGHWQKLESARQFLTAHRLPLTLAGASYEGVAVNDCIESGRQAAVSVLGTEPNS
  
Inhibitor
Name:
BDBM50359917
Synonyms:
CHEMBL1926856
Type:
Small organic molecule
Emp. Form.:
C16H14BrN3OS3
Mol. Mass.:
440.401
SMILES:
CC(C)(C)c1nn(-c2cc3nc(SCC#C)sc3cc2Br)c(=O)s1
Structure:
Search PDB for entries with ligand similarity: