Ki Summary

Reaction Details

Report a problem with these data

Target

Integrase

Ligand

BDBM50073642

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_88621 (CHEMBL701725)

IC50

1010±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

BDBM50073642

n/a

Name

BDBM50073642

Synonyms:

(Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(Z)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-cyclohexyl ester | CHEMBL146489

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 |(2.82,-12.69,;2.78,-11.15,;4.09,-10.34,;4.04,-8.83,;2.71,-8.06,;2.69,-6.54,;4.02,-5.76,;5.37,-6.52,;5.37,-8.06,;6.7,-5.75,;8.24,-5.69,;9.04,-7,;10.58,-6.95,;11.32,-5.61,;10.51,-4.3,;8.97,-4.34,;12.86,-5.56,;14.19,-4.79,;14.19,-3.25,;15.52,-5.56,;16.85,-4.79,;16.85,-3.25,;18.2,-2.48,;18.2,-.94,;16.85,-.17,;16.85,1.37,;15.52,-.96,;14.19,-.17,;15.52,-2.48,;1.38,-8.87,;1.42,-10.41,;.1,-11.21,)|

Structure