Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50237839
Substrate
n/a
Meas. Tech.
ChEMBL_475586 (CHEMBL926890)
IC50
>247000±n/a nM
Citation
 Dubois, M; Bailly, F; Mbemba, G; Mouscadet, JF; Debyser, Z; Witvrouw, M; Cotelle, P Reaction of rosmarinic acid with nitrite ions in acidic conditions: discovery of nitro- and dinitrorosmarinic acids as new anti-HIV-1 agents. J Med Chem 51:2575-9 (2008) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50237839
Synonyms:
(R)-3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(3,4-dihydroxyphenyl)acryloyloxy)propanoic acid | 3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(3,4-dihydroxyphenyl)acryloyloxy)propanoic acid | CHEMBL260778
Type:
Small organic molecule
Emp. Form.:
C18H15NO10
Mol. Mass.:
405.3124
SMILES:
OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(O)c(O)c1
Structure:
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