Reaction Details Report a problem with these data
Target
Biotin--protein ligase
Ligand
BDBM50388934
Substrate
n/a
Meas. Tech.
ChEMBL_831149 (CHEMBL2065962)
Ki
3500±n/a nM
Citation
 Soares da Costa, TP; Tieu, W; Yap, MY; Zvarec, O; Bell, JM; Turnidge, JD; Wallace, JC; Booker, GW; Wilce, MC; Abell, AD; Polyak, SW Biotin analogues with antibacterial activity are potent inhibitors of biotin protein ligase. ACS Med Chem Lett 3:509-514 (2012) [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:
BDBM50388934
Synonyms:
CHEMBL2063404
Type:
Small organic molecule
Emp. Form.:
C12H18N2OS
Mol. Mass.:
238.349
SMILES:
O=C1N[C@H]2CS[C@@H](CCCCCC#C)[C@H]2N1 |r|
Structure:
Search PDB for entries with ligand similarity: