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Target
Type II restriction enzyme EcoRI
Ligand
BDBM50250715
Substrate
n/a
Meas. Tech.
ChEMBL_504581 (CHEMBL993793)
IC50
>50000±n/a nM
Citation
 Singh, SB; Ondeyka, JG; Schleif, WA; Felock, P; Hazuda, DJ Chemistry and structure-activity relationship of HIV-1 integrase inhibitor integracide B and related natural products. J Nat Prod 66:1338-44 (2003) [PubMed]  Article 
Target
Name:
Type II restriction enzyme EcoRI
Synonyms:
T2E1_ECOLX | Type-2 restriction enzyme EcoRI | ecoRIR
Type:
PROTEIN
Mol. Mass.:
31063.04
Organism:
Escherichia coli
Description:
ChEMBL_504581
Residue:
277
Sequence:
MSNKKQSNRLTEQHKLSQGVIGIFGDYAKAHDLAVGEVSKLVKKALSNEYPQLSFRYRDSIKKTEINEALKKIDPDLGGTLFVSNSSIKPDGGIVEVKDDYGEWRVVLVAEAKHQGKDIINIRNGLLVGKRGDQDLMAAGNAIERSHKNISEIANFMLSESHFPYVLFLEGSNFLTENISITRPDGRVVNLEYNSGILNRLDRLTAANYGMPINSNLCINKFVNHKDKSIMLQAASIYTQGDGREWDSKIMFEIMFDISTTSLRVLGRDLFEQLTSK
  
Inhibitor
Name:
BDBM50250715
Synonyms:
(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-11-hydroxy-17-((2R)-4-(2-(2-hydroxypropan-2-yl)oxiran-2-yl)butan-2-yl)-4,4,10,13-tetramethyl-3-(sulfooxy)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl 16-hydroxyhexadecanoate | CHEMBL501254
Type:
Small organic molecule
Emp. Form.:
C48H80O12S
Mol. Mass.:
881.207
SMILES:
C[C@H](CCC1(CO1)C(C)(C)O)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CCCCCCCCCCCCCCCO)[C@H](OS(O)(=O)=O)C(C)(C)[C@@H]1CC3 |r,c:16,t:14|
Structure:
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