Reaction Details Report a problem with these data
Target
Sortase family protein
Ligand
BDBM50312643
Substrate
n/a
Meas. Tech.
ChEMBL_616480 (CHEMBL1101672)
IC50
129700±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:
BDBM50312643
Synonyms:
(-)-Discorhabdin L | CHEMBL1088180
Type:
Small organic molecule
Emp. Form.:
C18H14N3O3S
Mol. Mass.:
352.387
SMILES:
O[C@H]1C2=[N+]3CCc4c[nH]c5c(O)c6N[C@@H]7C[C@@]1(C(S7)=CC2=O)c6c3c45 |r,wU:14.14,wD:16.15,1.0,c:20,t:2,TLB:0:1:3.22.23:17.20.19,(22.95,-27.23,;21.59,-26.44,;21.58,-27.98,;20.29,-27.21,;18.96,-27.97,;17.62,-27.21,;17.62,-25.67,;16.55,-24.13,;17.48,-22.9,;18.95,-23.36,;20.28,-22.58,;20.28,-21.03,;21.61,-23.36,;22.95,-22.59,;24.27,-23.38,;24.27,-24.91,;22.93,-25.68,;24.27,-26.45,;25.61,-24.14,;24.26,-28,;22.91,-28.76,;22.9,-30.31,;21.61,-24.9,;20.28,-25.67,;18.95,-24.9,)|
Structure:
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