Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM50187767

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_378064 (CHEMBL869770)

IC50

350±n/a nM

Citation

Jin, H; Cai, RZ; Schacherer, L; Jabri, S; Tsiang, M; Fardis, M; Chen, X; Chen, JM; Kim, CU Design, synthesis, and SAR studies of novel and highly active tri-cyclic HIV integrase inhibitors. Bioorg Med Chem Lett16:3989-92 (2006) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Integrase

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

BDBM50187767

n/a

Name

BDBM50187767

Synonyms:

CHEMBL378395 | ethyl 2-(7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl)benzoate

Type

Small organic molecule

Emp. Form.

C27H21FN2O4

Mol. Mass.

456.465

SMILES

CCOC(=O)c1ccccc1-c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12 |(27.2,-19.28,;28.36,-20.3,;28.07,-21.81,;29.23,-22.82,;28.93,-24.33,;30.69,-22.32,;30.68,-20.78,;32.02,-20,;33.36,-20.77,;33.36,-22.31,;32.02,-23.08,;32.02,-24.62,;30.69,-25.39,;29.22,-24.9,;28.3,-26.16,;26.96,-26.93,;25.63,-26.15,;25.65,-24.61,;24.32,-23.83,;22.98,-24.59,;21.65,-23.81,;22.97,-26.14,;24.3,-26.91,;29.21,-27.4,;28.74,-28.87,;30.69,-26.93,;32.02,-27.7,;32.02,-29.24,;33.34,-26.93,;34.68,-27.7,;36.02,-26.93,;36.01,-25.38,;34.68,-24.63,;33.35,-25.39,)|

Structure