Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM50073623

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_88621 (CHEMBL701725)

IC50

1030±n/a nM

Citation

King, PJ; Ma, G; Miao, W; Jia, Q; McDougall, BR; Reinecke, MG; Cornell, C; Kuan, J; Kim, TR; Robinson, WE Structure-activity relationships: analogues of the dicaffeoylquinic and dicaffeoyltartaric acids as potent inhibitors of human immunodeficiency virus type 1 integrase and replication. J Med Chem42:497-509 (1999) [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

BDBM50073623

n/a

Name

BDBM50073623

Synonyms:

(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-cyclohexyl ester | CHEMBL149826

Type

Small organic molecule

Emp. Form.

C24H24O8

Mol. Mass.

440.4426

SMILES

Oc1ccc(\C=C\C(=O)OC2CCC(CC2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O |(-2.66,-3.51,;-1.31,-4.26,;.02,-3.48,;1.36,-4.24,;1.36,-5.78,;2.7,-6.55,;4.03,-5.78,;5.38,-6.53,;5.39,-8.07,;6.71,-5.76,;8.26,-5.71,;9.06,-7.01,;10.6,-6.97,;11.34,-5.62,;10.53,-4.31,;8.99,-4.35,;12.88,-5.57,;14.22,-4.8,;14.22,-3.26,;15.56,-5.57,;16.89,-4.8,;18.22,-5.57,;18.22,-7.12,;19.56,-7.89,;20.9,-7.12,;22.24,-7.89,;20.89,-5.56,;22.22,-4.79,;19.56,-4.8,;.05,-6.57,;-1.3,-5.81,;-2.63,-6.6,)|

Structure