Reaction Details |
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Target | Integrase |
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Ligand | BDBM50059989 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_90571 (CHEMBL702428) |
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IC50 | >100000±n/a nM |
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Citation | Artico, M; Di Santo, R; Costi, R; Novellino, E; Greco, G; Massa, S; Tramontano, E; Marongiu, ME; De Montis, A; La Colla, P Geometrically and conformationally restrained cinnamoyl compounds as inhibitors of HIV-1 integrase: synthesis, biological evaluation, and molecular modeling. J Med Chem41:3948-60 (1998) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Integrase |
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Name: | Integrase |
Synonyms: | Human immunodeficiency virus type 1 integrase |
Type: | PROTEIN |
Mol. Mass.: | 32231.48 |
Organism: | Human immunodeficiency virus 1 |
Description: | ChEMBL_90865 |
Residue: | 288 |
Sequence: | FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
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BDBM50059989 |
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n/a |
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Name | BDBM50059989 |
Synonyms: | (1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one | (1E,6E)-1,7-Bis-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione | 1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione | 1,7-bis(4-hydroxyphenyl)-3-hydroxy-1,3,6-heptatrien-5-one | 5-Hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one | 5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one | CHEMBL105350 | CHEMBL131770 | bis-demethoxycurcumin | cid_5324473 | curcumin III |
Type | Small organic molecule |
Emp. Form. | C19H16O4 |
Mol. Mass. | 308.3279 |
SMILES | Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4| |
Structure |
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