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Target
Type II restriction enzyme EcoRI
Ligand
BDBM50250719
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:
BDBM50250719
Synonyms:
(3R)-1-((2R,5R,10S,13R,14R,17R)-17-((2R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl) 5-methyl 3-hydroxy-3-methylpentanedioate | (3S)-1-((2R,5R,10S,13R,14R,17R)-17-((2R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl) 5-methyl 3-hydroxy-3-methylpentanedioate | CHEMBL500469
Type:
Small organic molecule
Emp. Form.:
C37H60O8
Mol. Mass.:
632.8675
SMILES:
COC(=O)CC(C)(O)CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CCC3=C2CC[C@]2(C)[C@H](CC[C@@]32C)[C@H](C)CCC(O)C(C)(C)O)C(C)(C)C1=O |r,c:19|
Structure:
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