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Target
Biotin--protein ligase
Ligand
BDBM50039492
Substrate
n/a
Meas. Tech.
ChEMBL_1445407 (CHEMBL3379106)
Ki
754000±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:
BDBM50039492
Synonyms:
CHEMBL1231498
Type:
Small organic molecule
Emp. Form.:
C20H30N7O8PS
Mol. Mass.:
559.533
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r|
Structure:
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