Reaction Details Report a problem with these data
Target
Sortase family protein
Ligand
BDBM50312642
Substrate
n/a
Meas. Tech.
ChEMBL_616480 (CHEMBL1101672)
IC50
146300±n/a nM
Citation
 Jeon, JE; Na, Z; Jung, M; Lee, HS; Sim, CJ; Nahm, K; Oh, KB; Shin, J Discorhabdins from the Korean marine sponge Sceptrella sp. J Nat Prod 73:258-62 (2010) [PubMed]  Article 
Target
Name:
Sortase family protein
Synonyms:
Sortase | Sortase A (SrtA)
Type:
Enzyme
Mol. Mass.:
23546.15
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
206
Sequence:
MKKWTNRLMTIAGVVLILVAAYLFAKPHIDNYLHDKDKDEKIEQYDKNVKEQASKDKKQQAKPQIPKDKSKVAGYIEIPDADIKEPVYPGPATPEQLNRGVSFAEENESLDDQNISIAGHTFIDRPNYQFTNLKAAKKGSMVYFKVGNETRKYKMTSIRDVKPTDVGVLDEQKGKDKQLTLITCDDYNEKTGVWEKRKIFVATEVK
  
Inhibitor
Name:
BDBM50312642
Synonyms:
(+)-1-Methoxydiscorhabdin D | CHEMBL1088179
Type:
Small organic molecule
Emp. Form.:
C19H16N3O3S
Mol. Mass.:
366.413
SMILES:
CO[C@H]1C2=[N+]3CCc4c[nH]c5c(O)c6N[C@@H]7C[C@@]1(C(S7)=CC2=O)c6c3c45 |r,wU:15.15,wD:17.16,2.1,c:21,t:3,TLB:1:2:4.23.24:18.21.20,(10.6,-27.92,;9.81,-26.55,;8.44,-25.76,;8.44,-27.29,;7.15,-26.53,;5.82,-27.29,;4.49,-26.52,;4.49,-24.99,;3.41,-23.45,;4.34,-22.22,;5.81,-22.68,;7.14,-21.9,;7.14,-20.35,;8.47,-22.68,;9.8,-21.91,;11.13,-22.7,;11.13,-24.23,;9.79,-25,;11.12,-25.76,;12.47,-23.46,;11.11,-27.32,;9.76,-28.08,;9.76,-29.63,;8.46,-24.22,;7.14,-24.99,;5.81,-24.22,)|
Structure:
Search PDB for entries with ligand similarity: