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Target
Pup--protein ligase
Ligand
BDBM50124518
Substrate
n/a
Meas. Tech.
ChEMBL_2213055 (CHEMBL5126004)
IC50
17900±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_MYCTU | Proteasome accessory factor A | Pup-conjugating enzyme | paf | pafA
Type:
PROTEIN
Mol. Mass.:
51384.99
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_120770
Residue:
452
Sequence:
MQRRIMGIETEFGVTCTFHGHRRLSPDEVARYLFRRVVSWGRSSNVFLRNGARLYLDVGSHPEYATAECDSLVQLVTHDRAGEWVLEDLLVDAEQRLADEGIGGDIYLFKNNTDSAGNSYGCHENYLIVRAGEFSRISDVLLPFLVTRQLICGAGKVLQTPKAATYCLSQRAEHIWEGVSSATTRSRPIINTRDEPHADAEKYRRLHVIVGDSNMSETTTMLKVGTAALVLEMIESGVAFRDFSLDNPIRAIREVSHDVTGRRPVRLAGGRQASALDIQREYYTRAVEHLQTREPNAQIEQVVDLWGRQLDAVESQDFAKVDTEIDWVIKRKLFQRYQDRYDMELSHPKIAQLDLAYHDIKRGRGIFDLLQRKGLAARVTTDEEIAEAVDQPPQTTRARLRGEFISAAQEAGRDFTVDWVHLKLNDQAQRTVLCKDPFRAVDERVKRLIASM
  
Inhibitor
Name:
BDBM50124518
Synonyms:
(E)-3-(3'-Adamantan-1-yl-4'-hydroxy-biphenyl-4-yl)-acrylic acid | (E)-4-[3-(1-adamantyl)-4-hydroxyphenyl]cinnamic acid | CHEMBL442016
Type:
Small organic molecule
Emp. Form.:
C25H26O3
Mol. Mass.:
374.4721
SMILES:
OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:16:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Structure:
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