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Target
Biotin--protein ligase
Ligand
BDBM50039493
Substrate
n/a
Meas. Tech.
ChEMBL_1445407 (CHEMBL3379106)
IC50
39700±n/a nM
Citation
 Sittiwong, W; Cordonier, EL; Zempleni, J; Dussault, PH ฿-Keto and฿-hydroxyphosphonate analogs of biotin-5'-AMP are inhibitors of holocarboxylase synthetase. Bioorg Med Chem Lett 24:5568-71 (2014) [PubMed]  Article 
Target
Name:
Biotin--protein ligase
Synonyms:
BPL1_HUMAN | Biotin apo-protein ligase | Biotin--[acetyl-CoA-carboxylase] ligase | Biotin--[methylcrotonoyl-CoA-carboxylase] ligase | Biotin--[methylmalonyl-CoA-carboxytransferase] ligase | Biotin--[propionyl-CoA-carboxylase [ATP-hydrolyzing]] ligase | HCS | HLCS | Holocarboxylase synthetase
Type:
PROTEIN
Mol. Mass.:
80745.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1475435
Residue:
726
Sequence:
MEDRLHMDNGLVPQKIVSVHLQDSTLKEVKDQVSNKQAQILEPKPEPSLEIKPEQDGMEHVGRDDPKALGEEPKQRRGSASGSEPAGDSDRGGGPVEHYHLHLSSCHECLELENSTIESVKFASAENIPDLPYDYSSSLESVADETSPEREGRRVNLTGKAPNILLYVGSDSQEALGRFHEVRSVLADCVDIDSYILYHLLEDSALRDPWTDNCLLLVIATRESIPEDLYQKFMAYLSQGGKVLGLSSSFTFGGFQVTSKGALHKTVQNLVFSKADQSEVKLSVLSSGCRYQEGPVRLSPGRLQGHLENEDKDRMIVHVPFGTRGGEAVLCQVHLELPPSSNIVQTPEDFNLLKSSNFRRYEVLREILTTLGLSCDMKQVPALTPLYLLSAAEEIRDPLMQWLGKHVDSEGEIKSGQLSLRFVSSYVSEVEITPSCIPVVTNMEAFSSEHFNLEIYRQNLQTKQLGKVILFAEVTPTTMRLLDGLMFQTPQEMGLIVIAARQTEGKGRGGNVWLSPVGCALSTLLISIPLRSQLGQRIPFVQHLMSVAVVEAVRSIPEYQDINLRVKWPNDIYYSDLMKIGGVLVNSTLMGETFYILIGCGFNVTNSNPTICINDLITEYNKQHKAELKPLRADYLIARVVTVLEKLIKEFQDKGPNSVLPLYYRYWVHSGQQVHLGSAEGPKVSIVGLDDSGFLQVHQEGGEVVTVHPDGNSFDMLRNLILPKRR
  
Inhibitor
Name:
BDBM50039493
Synonyms:
CHEMBL3357333
Type:
Small organic molecule
Emp. Form.:
C21H33N8O8PS
Mol. Mass.:
588.574
SMILES:
[NH4+].[H][C@]12CS[C@@H](CCCCC(=O)CP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r|
Structure:
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