| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Integrase |
|---|
| Ligand | BDBM50029209 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_88769 (CHEMBL857173) |
|---|
| IC50 | 100000±n/a nM |
|---|
| Citation |  Buolamwini, JK; Assefa, H CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site. J Med Chem45:841-52 (2002) [PubMed] |
|---|
| 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
|
|
|
|---|
| BDBM50029209 |
|---|
| n/a |
|---|
| Name | BDBM50029209 |
|---|
| Synonyms: | (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | (E)-methyl 3-(3,4-dihydroxyphenyl)acrylate | 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | CHEMBL17001 | METHYLCAFFEATE | Methyl 1-(3',4'-dihydroxyphenyl)propenate | Methyl caffeate | methyl 3-(3,4-dihydroxyphenyl)acrylate |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C10H10O4 |
|---|
| Mol. Mass. | 194.184 |
|---|
| SMILES | COC(=O)\C=C\c1ccc(O)c(O)c1 |
|---|
| Structure | 
|
|---|
Search and Browse
