Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50133496
Substrate
n/a
Meas. Tech.
ChEMBL_475583 (CHEMBL926887)
IC50
63500±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:
BDBM50133496
Synonyms:
(2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid | (R)-rosmarinic acid | CHEMBL324842 | Rosmarinic acid, 2 | US10688093, Compound rosmarinic acid | US11701353, rosmarinic acid | cid_5281792
Type:
Small organic molecule
Emp. Form.:
C18H16O8
Mol. Mass.:
360.3148
SMILES:
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Structure:
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