Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM50021291

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1366289 (CHEMBL3297622)

28±n/a nM

Citation

Fader, LD; Carson, R; Morin, S; Bilodeau, F; Chabot, C; Halmos, T; Bailey, MD; Kawai, SH; Coulombe, R; Laplante, S; Mekhssian, K; Jakalian, A; Garneau, M; Duan, J; Mason, SW; Simoneau, B; Fenwick, C; Tsantrizos, Y; Yoakim, C Minimizing the Contribution of Enterohepatic Recirculation to Clearance in Rat for the NCINI Class of Inhibitors of HIV. ACS Med Chem Lett5:711-6 (2014) [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

BDBM50021291

n/a

Name

BDBM50021291

Synonyms:

CHEMBL3287923

Type

Small organic molecule

Emp. Form.

C29H33ClN2O4

Mol. Mass.

509.036

SMILES

Cc1ccc(cc1C)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCNc2c1Cl |r,wD:13.14,(7.91,-29.19,;9.24,-28.41,;10.59,-29.18,;11.91,-28.41,;11.9,-26.87,;10.57,-26.1,;9.24,-26.87,;7.91,-26.1,;13.23,-26.1,;14.57,-26.87,;15.9,-26.09,;17.24,-26.86,;15.89,-24.54,;17.22,-23.77,;17.21,-22.22,;18.54,-21.45,;18.53,-19.91,;19.88,-22.21,;19.87,-20.67,;18.56,-24.53,;19.89,-23.75,;18.57,-26.07,;14.56,-23.78,;13.23,-24.56,;11.9,-23.79,;14.55,-22.24,;13.22,-21.49,;13.2,-19.96,;14.55,-19.18,;14.54,-17.65,;15.87,-16.89,;17.19,-17.66,;17.19,-19.19,;15.87,-19.94,;15.88,-21.48,;15.87,-23.02,)|

Structure