Reaction Details Report a problem with these data
Target
Penicillin-binding protein 1B
Ligand
BDBM50458507
Substrate
n/a
Meas. Tech.
ChEMBL_1763994 (CHEMBL4199241)
IC50
87000±n/a nM
Citation
 Yu, JY; Cheng, HJ; Wu, HR; Wu, WS; Lu, JW; Cheng, TJ; Wu, YT; Fang, JM Structure-based design of bacterial transglycosylase inhibitors incorporating biphenyl, amine linker and 2-alkoxy-3-phosphorylpropanoate moieties. Eur J Med Chem 150:729-741 (2018) [PubMed]  Article 
Target
Name:
Penicillin-binding protein 1B
Synonyms:
B9X91_01540 | CEJ63_06105 | EJB02_02435 | FE003_06205 | Murein polymerase | PBP-1b | PBP1b | Penicillin-binding protein 1B | SAMEA104305229_00571 | SAMEA104305325_03053 | SAMEA104305337_07354 | mrcB | mrcB_2
Type:
PROTEIN
Mol. Mass.:
88233.96
Organism:
Acinetobacter baumannii
Description:
ChEMBL_117791
Residue:
798
Sequence:
MKFERGIGFFALIFSILVIGAFIALSIYLIRLDNIIREKFEGQRWDIPAKVFARPLEIYNNAPITQANFTQELKLLGYKTSSNYDKSGTYVAQGSNMYVHTRGFDYGDSVESEQVLELSFANDQVVEVRSTKPSSTGVARLEPLLIGGIYPQHNEDRVLIKLNSVPKPLIEALISTEDRNFYHHHGISIRGTARALVSNVTGGRRQGGSTLTQQLVKNFYLTPERTLKRKVNEALMALLIELHYSKDEILEAYLNEVNLGQNGNYSINGYGLASQFYFGLPLRELNVAQQAYLVGLVQGPSLYNPWKNPEGAKNRRDTVLNNMRVMGYLTQAEYETEIARPLNVLSKPSLGPAKFPDFLDIVRRQLRTEYQESDLTNQGLRIFTTLDPIAQTQVQNAFKASVERLANSNPARLKNLQGAVLIAHPENGELIAAVGSTQDFTGFNRALDAKRQVGSLLKPVIYLSAIESGRYNWASQIEDAPISVPVDGGKSWTPKNYSGGGHGIVSLSEALANSYNLSAVRLGQEFGLSTFTNNLRKFGVESTIPAYPSIFLGAVNMSPMEVLGIYENFATGGFKYPTRAIRSVVDANGRLLDRYGLNVQQTIDPSVGYIMNYGLQQVMSSGTGRAAYNSLSPALKLAGKSGTTNDTRDSWFAGYSGNHVAVVWLGLDDNKVTGLTGSSGALPVWINVMKQLRQTPVNLRQPDSVQWQWIDRASGDLSAQACDGAMYIPMLAHTVPHRATPCGAPYYQVDPTYTPQSDNTIPEPQDDNTDSYIRESENQMEQDLSNNTRIISSGSYNN
  
Inhibitor
Name:
BDBM50458507
Synonyms:
CHEMBL4203272
Type:
Small organic molecule
Emp. Form.:
C49H65N4O6P
Mol. Mass.:
837.0374
SMILES:
CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCN(Cc2ccc(cc2)-c2ccccc2)Cc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r|
Structure:
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