Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50076268
Substrate
n/a
Meas. Tech.
ChEMBL_90575 (CHEMBL701159)
IC50
7800±n/a nM
Citation
Lin, Z; Neamati, N; Zhao, H; Kiryu, Y; Turpin, JA; Aberham, C; Strebel, K; Kohn, K; Witvrouw, M; Pannecouque, C; Debyser, Z; De Clercq, E; Rice, WG; Pommier, Y; Burke, TR Chicoric acid analogues as HIV-1 integrase inhibitors. J Med Chem 42:1401-14 (1999) [PubMed] Article
More Info.:
Target
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:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
Inhibitor
Name:
BDBM50076268
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-2-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1-methyl-propyl ester | CHEMBL31883
Type:
Small organic molecule
Emp. Form.:
C22H22O8
Mol. Mass.:
414.4053
SMILES:
C[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1