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Target
Integrase
Ligand
BDBM50133496
Substrate
n/a
Meas. Tech.
ChEMBL_875730 (CHEMBL2185782)
IC50
550±n/a nM
Citation
 Hu, G; Li, X; Zhang, X; Li, Y; Ma, L; Yang, LM; Liu, G; Li, W; Huang, J; Shen, X; Hu, L; Zheng, YT; Tang, Y Discovery of inhibitors to block interactions of HIV-1 integrase with human LEDGF/p75 via structure-based virtual screening and bioassays. J Med Chem 55:10108-17 (2012) [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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