Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50021581
Substrate
n/a
Meas. Tech.
ChEMBL_475586 (CHEMBL926890)
IC50
120±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:
BDBM50021581
Synonyms:
CHEMBL414850 | L-870810
Type:
Small organic molecule
Emp. Form.:
C20H19FN4O4S
Mol. Mass.:
430.453
SMILES:
O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
Structure:
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