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Target
Sortase family protein
Ligand
BDBM50257635
Substrate
n/a
Meas. Tech.
ChEMBL_2268797
IC50
31800±n/a nM
Citation
 Sapra, R; Rajora, AK; Kumar, P; Maurya, GP; Pant, N; Haridas, V Chemical Biology of Sortase A Inhibition: A Gateway to Anti-infective Therapeutic Agents. J Med Chem 64:13097-13130 (2021) [PubMed] 
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:
BDBM50257635
Synonyms:
(-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3R,4S,5S,6R)-2-((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ETHYL-6-METHYLHEPTAN-2-YL]-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL]OXY]-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL | (3BETA)-STIGMAST-5-EN-3-YL BETA-D-GLUCOPYRANOSIDE | .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.)-STIGMAST-5-EN-3-YL | 3-BETA-(BETA-D-GLUCOPYRANOSYLOXY)STIGMAST-5-ENE | 474-58-8 | AC1NX3NW | ALEXANDRIN | AMBAP474-58-8 | BETA-DAUCOSTEROL | BETA-SITOSTEROL 3-O-BETA-D-GLUCOPYRANOSIDE | BETA-SITOSTEROL GLUCOSIDE | BETA-SITOSTEROL GLUCUTONIDE | BETA-SITOSTEROL-BETA-D-GLYCOSIDE | BETA-SITOSTERYL-BETA-D-GLUCOPYRANOSIDE | BSSG | C011015 | CHEMBL506678 | CID5742590 | CORIANDRINOL | D05848 | DAUCOSTERIN | DAUCOSTEROL | DOURSTEROL | ELEUTHEROSIDE A | EU-4906 | FT-0686600 | LYONISIDE | NSC-165962 | NSC165962 | SITOGLUSIDE | SITOGLUSIDE (USAN/INN) | SITOGLUSIDUM | SITOSTEROL BETA-D-GLUCOSIDE | SITOSTEROL GLUCURONIDE | SITOSTEROL-3-O-BETA-D-GLUCOSIDE | STEROLIN | SURECN137210 | WA 184
Type:
Small organic molecule
Emp. Form.:
C35H60O6
Mol. Mass.:
576.8473
SMILES:
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C |r,t:13|
Structure:
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