Reaction Details Report a problem with these data
Target
PBP2A
Ligand
BDBM50213260
Substrate
n/a
Meas. Tech.
ChEMBL_153662 (CHEMBL757854)
IC50
8.76e+02±n/a nM
Citation
  TBA Bioorg Med Chem Lett 5:1427-1432 (1995)   
Target
Name:
PBP2A
Synonyms:
MecA PBP2' (penicillin binding protein 2') | PBP2A | Penicillin-binding protein | mecA
Type:
PROTEIN
Mol. Mass.:
76283.66
Organism:
Staphylococcus aureus
Description:
ChEMBL_105733
Residue:
668
Sequence:
MKKIKIVPLILIVVVVGFGIYFYASKDKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTHMRLGIVPKNVSKKDYKAIAKELSISEDYINNKWIKIGYKMIPSFHFKTVKKMDEYLSDFAKKFHLTTNETESRNYPLEKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLNDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKMKQGESGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE
  
Inhibitor
Name:
BDBM50213260
Synonyms:
CHEMBL34381
Type:
Small organic molecule
Emp. Form.:
C21H20N4O4S2
Mol. Mass.:
456.538
SMILES:
[H][C@]12CC(Sc3nc4cc(C[n+]5ccn(C)c5)ccc4s3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:23|
Structure:
Search PDB for entries with ligand similarity: