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Target
Pup--protein ligase
Ligand
BDBM50594452
Substrate
n/a
Meas. Tech.
ChEMBL_2213073 (CHEMBL5126022)
EC50
1700±n/a nM
Citation
 Li, C; Liu, S; Dong, B; Li, C; Jian, L; He, J; Zeng, J; Zhou, Q; Jia, D; Luo, Y; Sun, Q Discovery and Mechanistic Study of  J Med Chem 65:11058-11065 (2022) [PubMed] 
Target
Name:
Pup--protein ligase
Synonyms:
6.3.1.19 | PAFA_CORGL | Proteasome accessory factor A | Pup-conjugating enzyme | pafA
Type:
PROTEIN
Mol. Mass.:
53792.87
Organism:
Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / BCRC 11384 /JCM 1318 / LMG 3730 / NCIMB 10025)
Description:
ChEMBL_120777
Residue:
482
Sequence:
MSTVESALTRRIMGIETEYGLTFVDGDSKKLRPDEIARRMFRPIVEKYSSSNIFIPNGSRLYLDVGSHPEYATAECDNLTQLINFEKAGDVIADRMAVDAEESLAKEDIAGQVYLFKNNVDSVGNSYGCHENYLVGRSMPLKALGKRLMPFLITRQLICGAGRIHHPNPLDKGESFPLGYCISQRSDHVWEGVSSATTRSRPIINTRDEPHADSHSYRRLHVIVGDANMAEPSIALKVGSTLLVLEMIEADFGLPSLELANDIASIREISRDATGSTLLSLKDGTTMTALQIQQVVFEHASKWLEQRPEPEFSGTSNTEMARVLDLWGRMLKAIESGDFSEVDTEIDWVIKKKLIDRFIQRGNLGLDDPKLAQVDLTYHDIRPGRGLFSVLQSRGMIKRWTTDEAILAAVDTAPDTTRAHLRGRILKAADTLGVPVTVDWMRHKVNRPEPQSVELGDPFSAVNSEVDQLIEYMTVHAESYRS
  
Inhibitor
Name:
BDBM50594452
Synonyms:
SEPANTRONIUM | Sepantronium cation | Sepantronium ion
Type:
Small organic molecule
Emp. Form.:
C20H19N4O3
Mol. Mass.:
363.3893
SMILES:
COCC[n+]1c(C)n(Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O
Structure:
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