Reaction Details  Report a problem with these data
Target
Peptidase
Ligand
BDBM50611991
Substrate
n/a
Meas. Tech.
ChEMBL_2285377
IC50
97000±n/a nM
Citation
 Shalaby, MW; Dokla, EME; Serya, RAT; Abouzid, KAM Penicillin binding protein 2a: An overview and a medicinal chemistry perspective. Eur J Med Chem 199:0 (2020) [PubMed]
Target
Name:
Peptidase
Synonyms:
MecA | Pbp2a | Penicillin binding protein 2 prime | Penicillin binding protein 2' | Penicillin binding protein 2a (PBP2a) | Penicillin-binding protein 2 prime | Penicillin-binding protein 2'
Type:
PROTEIN
Mol. Mass.:
76113.18
Organism:
Staphylococcus aureus
Description:
ChEMBL_677175
Residue:
668
Sequence:
MKKIKIVPLILIVVVVGFGIYFYASKDKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETESRNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKMKQGETGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE
  
Inhibitor
Name:
BDBM50611991
Synonyms:
CHEMBL5290603
Type:
Small organic molecule
Emp. Form.:
C21H21NO5S
Mol. Mass.:
399.46
SMILES:
CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccccc1C(O)=O
Structure:
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