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Target
Type II restriction enzyme EcoRI
Ligand
BDBM50250727
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:
BDBM50250727
Synonyms:
(2R,5R,10S,13R,14R,17R)-17-((2R)-5,6-dihydroxy-6-methylheptan-2-yl)-2-hydroxy-4,4,10,13,14-pentamethyl-4,5,6,7,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one | 2-alpha,24,25-trihydroxylanostan-3-one | CHEMBL513686
Type:
Small organic molecule
Emp. Form.:
C30H50O4
Mol. Mass.:
474.7156
SMILES:
C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1CC3 |r,c:15|
Structure:
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