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Target
Type II restriction enzyme EcoRI
Ligand
BDBM50250738
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:
BDBM50250738
Synonyms:
Acetic acid (1R,5aR,8R,9R,10aS,11R,12R,12aR)-1-((R)-1,5-dimethyl-4-methylene-hexyl)-11-hydroxy-6,6,8,8,10a,12a-hexamethyl-2,4,5,5a,6,6a,9a,10,10a,11,12,12a-dodecahydro-1H-7,9-dioxa-dicyclopenta[a,h]phenanthren-12-yl ester | CHEMBL455285
Type:
Small organic molecule
Emp. Form.:
C35H54O5
Mol. Mass.:
554.8003
SMILES:
CC(C)C(=C)CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)C[C@H]2OC(C)(C)O[C@@H]2C(C)(C)[C@@H]1CC3 |r,c:13,t:11|
Structure:
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