Reaction Details Report a problem with these data
Target
Penicillin-binding protein 1A
Ligand
BDBM50012179
Substrate
n/a
Meas. Tech.
ChEMBL_1353117 (CHEMBL3271797)
IC50
46±n/a nM
Citation
 Starr, J; Brown, MF; Aschenbrenner, L; Caspers, N; Che, Y; Gerstenberger, BS; Huband, M; Knafels, JD; Lemmon, MM; Li, C; McCurdy, SP; McElroy, E; Rauckhorst, MR; Tomaras, AP; Young, JA; Zaniewski, RP; Shanmugasundaram, V; Han, S Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J Med Chem 57:3845-55 (2014) [PubMed]  Article 
Target
Name:
Penicillin-binding protein 1A
Synonyms:
DD-transpeptidase | PBP-1a | PBP1a | PBPA_PSEAE | Penicillin-insensitive transglycosylase | Penicillin-sensitive transpeptidase | Peptidoglycan TGase | mrcA | ponA
Type:
PROTEIN
Mol. Mass.:
91195.42
Organism:
Pseudomonas aeruginosa PAO1
Description:
ChEMBL_108353
Residue:
822
Sequence:
MRLLKFLWWTCVTLICGVLLSFSGAYLYLSPSLPSVEALRNVQLQIPLKVYSEDGKLISEFGEMRRTPIRFADIPQDFIHALLSAEDDNFANHYGVDVKSLMRAAAQLLKSGHIQTGGSTITMQVAKNYFLTNERSFSRKINEILLALQIERQLTKDEILELYVNKIYLGNRAYGIEAAAQVYYGKPIKDLSLAEMAMIAGLPKAPSRYNPLVNPTRSTERRNWILERMLKLGFIDQQRYQAAVEEPINASYHVQTPELNAPYIAEMARAEMVGRYGSEAYTEGYKVITTVRSDLQNAASQSVRDGLIDYDQRHGYRGPETRLPGQTRDAWLKHLGQQRSIGGLEPAIVTQVEKSGIMVMTRDGKEEAVTWDSMKWARPFLSNNSMGPMPRQPADVAQAGDQIRVQRQEDGTLRFVQIPAAQSALISLDPKDGAIRSLVGGFSFEQSNYNRAIQAKRQPGSSFKPFIYSAALDNGFTAASLVNDAPIVFVDEYLDKVWRPKNDTNTFLGPIPLREALYKSRNMVSIRVLQGLGIERAISYITKFGFQRDELPRNFSLALGTATVTPMEIAGAWSVFANGGYKVNPYVIERIESRDGQVLYQANPPRVPVEEQVAADAEDAGNPGDPEHPESAEGEGSIEAQQVAAKAQTTFEPTPAERIIDARTAYIMTSMLQDVIKRGTGRRALALKRTDLAGKTGTTNDSKDGWFSGYNSDYVTSVWVGFDQPETLGRREYGGTVALPIWIRYMGFALKDKPMHTMAEPPGIVSLRIDPVTGRSAAPGTPGAYFEMFKNEDTPPSVNELPPGSFPGSPLPDDEGAPIDLF
  
Inhibitor
Name:
BDBM50012179
Synonyms:
CHEMBL3265221
Type:
Small organic molecule
Emp. Form.:
C19H18N6O11S
Mol. Mass.:
538.445
SMILES:
Nc1nc(cs1)C(=N\OCc1cc(=O)c(O)cn1O)\C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O |r|
Structure:
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