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Target
Type II restriction enzyme EcoRI
Ligand
BDBM50250745
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:
BDBM50250745
Synonyms:
(2R,3R,5R,10S,11R,12R,13R,17R)-3,11-dihydroxy-2-(methoxymethoxy)-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl acetate | CHEMBL503134
Type:
Small organic molecule
Emp. Form.:
C34H54O6
Mol. Mass.:
558.789
SMILES:
COCO[C@@H]1C[C@@]2(C)[C@@H](CCC3=C2[C@@H](O)[C@H](OC(C)=O)[C@]2(C)[C@H](CC=C32)[C@H](C)CCC(=C)C(C)C)C(C)(C)[C@H]1O |r,c:11,t:25|
Structure:
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