Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM50479067

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_509633 (CHEMBL1003961)

IC50

7000±n/a nM

Citation

Zeng, LF; Jiang, XH; Sanchez, T; Zhang, HS; Dayam, R; Neamati, N; Long, YQ Novel dimeric aryldiketo containing inhibitors of HIV-1 integrase: effects of the phenyl substituent and the linker orientation. Bioorg Med Chem16:7777-87 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Integrase

Name:

Integrase

Synonyms:

pol

Type:

PROTEIN

Mol. Mass.:

32203.43

Organism:

Human immunodeficiency virus 1

Description:

ChEMBL_106649

Residue:

288

Sequence:

FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED

BDBM50479067

n/a

Name

BDBM50479067

Synonyms:

CHEMBL452876

Type

Small organic molecule

Emp. Form.

C40H38N2O8

Mol. Mass.

674.7383

SMILES

O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 |(-2.39,-9.08,;-2.4,-7.52,;-3.73,-6.76,;-5.07,-7.52,;-5.07,-9.07,;-6.4,-6.76,;-7.73,-7.53,;-9.06,-6.76,;-9.07,-5.21,;-7.73,-4.44,;-7.73,-2.91,;-6.39,-2.14,;-6.39,-.6,;-5.07,.17,;-5.06,1.7,;-6.39,2.47,;-7.73,1.7,;-7.73,.17,;-6.4,-5.21,;-1.06,-6.76,;-1.06,-5.21,;.28,-7.52,;1.59,-6.72,;2.94,-7.45,;4.26,-6.64,;4.22,-5.11,;2.87,-4.37,;1.54,-5.17,;5.53,-4.31,;5.49,-2.77,;4.13,-2.02,;6.81,-1.96,;8.17,-2.7,;6.76,-.41,;8.08,.39,;9.44,-.35,;8.04,1.93,;9.36,2.73,;9.33,4.26,;7.97,4.99,;6.65,4.19,;5.3,4.92,;3.99,4.12,;2.63,4.85,;2.6,6.39,;1.25,7.12,;-.07,6.32,;-.02,4.78,;1.33,4.05,;6.69,2.65,)|

Structure